Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6449861 | 0.98 | CYP3A4 (0.58) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL5042317 | 0.95 | CYP3A4 (0.58) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL5928876 | 0.91 | CES2 (0.57) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL4673995 | 0.84 | CES2 (0.50) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL24131018 | 0.83 | CES2 (0.48) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL38661039 | 0.83 | CES2 (0.58) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 | |
| SCHEMBL30137728 | 0.83 | PDE10A (0.58) | PKMCYP3A4CYP2C9ALDH1A1NPC1 | |
| SCHEMBL408199 | 0.83 | CES2 (0.48) | PKMCYP3A4CYP2C9ALDH1A1CES2 | |
| Hydrochloric Acid SCHEMBL439311 | 0.81 | KMT2A (0.47) | PKMCYP3A4CYP2C9ALDH1A1CES2 | |
| SCHEMBL20412775 | 0.81 | RAB9A (0.52) | PKMCYP3A4CYP2C9SMN1; SMN2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233799-B1 | DOPAMINE D2 RECEPTOR LIGANDS | BROAD INST INC (US) | 2021-05-19 | — | — | EP | disclosed |
| US-10752588-B2 | Dopamine D2 receptor ligands | THE BROAD INSTITUTE, INC. (US) | 2020-08-25 | — | — | US | disclosed |
| EP-3611164-A1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | Mitsui Chemicals Agro, Inc. (JP) | 2020-02-19 | — | — | EP | disclosed |
| US-20190345105-A9 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2019-11-14 | — | — | US | disclosed |
| US-20190023656-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2019-01-24 | — | — | US | disclosed |
| EP-3233799-A1 | DOPAMINE D2 RECEPTOR LIGANDS | The Broad Institute Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100823-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |
| EP-1425262-B1 | Acylthiols and compositions thereof as anti-HIV and anti-retroviral agents | GOV OF USA AS REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES NAT INST OF HEALTH (US) | 2014-01-08 | — | — | EP | disclosed |
| US-8076372-B2 | Acythiols and component thiol compositions as anti-HIV and anti-retroviral agents | GOVERNMENT OF THE UNITED STATES (US) | 2011-12-13 | — | — | US | disclosed |
| US-20090247473-A1 | ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS | THE GOVERNMENT OF THE U.S.A.,AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES (US) | 2009-10-01 | — | — | US | disclosed |
| US-7112680-B2 | Heterocyclic hydrazones for use as anti-cancer agents | AUSTRIA WIRTSCHAFTSSERVICE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (AT) | 2006-09-26 | — | — | US | disclosed |
| EP-1425262-A4 | ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS | US GOV HEALTH & HUMAN SERV (US) | 2006-03-08 | — | — | EP | disclosed |
| US-20050020831-A1 | Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents | GOVERNMENT OF THE UNITED STATES | 2005-01-27 | — | — | US | disclosed |
| EP-1425262-A1 | ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS | The Gov. of USA, as represented by the Secretary, Dept. of Health and Human services, National Institutes of Health (US) | 2004-06-09 | — | — | EP | disclosed |
| CN-1146548-C | Isoxazolyl-and isoxazolinyl-substituted benzoylcyclohexanediones, method for the production thereof and use thereof as herbicides and plant growth regulators | �Ϻ���ͨ��ѧ | 2004-04-21 | — | — | CN | disclosed |
| US-20030166658-A1 | Heterocyclic hydrazones for use as anti-cancer agents | EASMON, JOHNNY, OF INSTITUT FUR PHARMAZIE (AT) | 2003-09-04 | — | — | US | disclosed |
| EP-1286987-A1 | HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS | Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) | 2003-03-05 | — | — | EP | disclosed |
| WO-2003014062-A1 | ACYLTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS | THE GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2003-02-20 | — | — | WO | disclosed |
| CN-1364160-A | Isoxazolyl-and isoxazolinyl-substituted benzoylcyclohexanediones, their preparation and their use as herbicides and plant growth regulators | AVENTIS CROPSCIENCE GMBH (DE) | 2002-08-14 | — | — | CN | disclosed |
| WO-2001094340-A1 | HETEROCYCLIC HYDRAZONES FOR USE AS ANTI-CANCER AGENTS | INNOVATIONSAGENTUR GESELLSCHAFT M.B.H. (AT) | 2001-12-13 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190345105-A9 | DOPAMINE D2 RECEPTOR LIGANDS | DRD2, SLC6A3, NTSR2 | PKM 3719/4885CYP3A4 3886/4885CYP2C9 4447/4885 |
| US-20190023656-A1 | DOPAMINE D2 RECEPTOR LIGANDS | DRD2, SLC6A3, NTSR2 | PKM 3719/4885CYP3A4 3886/4885CYP2C9 4447/4885 |
| US-20030166658-A1 | Heterocyclic hydrazones for use as anti-cancer agents | HDAC5, AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 | PKM 2101/4885CYP3A4 1396/4885CYP2C9 3190/4885 |
| US-10752588-B2 | Dopamine D2 receptor ligands | DRD2, SLC6A3, NTSR2 | PKM 3719/4885CYP3A4 3886/4885CYP2C9 4447/4885 |
| US-20090247473-A1 | ACYTHIOLS AND COMPONENT THIOL COMPOSITIONS AS ANTI-HIV AND ANTI-RETROVIRAL AGENTS | ZC3HAV1, ZFP3, ATL3 | PKM 4166/4885CYP3A4 4506/4885CYP2C9 4705/4885 |
| US-20050020831-A1 | Acylthiols and component thiol compositions as anti-hiv and anti-retroviral agents | ZC3HAV1, ACAT2, ACAT1 | PKM 4195/4885CYP3A4 4500/4885CYP2C9 4738/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.