Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 4/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.40 |
| ▸ | PPARG | P37231 | 6/20 | 0.40 |
| ▸ | PPARD | Q03181 | 6/20 | 0.40 |
| ▸ | PPARA | Q07869 | 6/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | FABP4 | P15090 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28053085 | 0.97 | TSHR (0.46) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL11125330 | 0.97 | TSHR (0.46) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL16030163 | 0.97 | TSHR (0.46) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10477517 | 0.97 | TSHR (0.46) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL1533739 | 0.97 | TSHR (0.43) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10493547 | 0.95 | TSHR (0.42) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10493658 | 0.93 | TSHR (0.42) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10440474 | 0.92 | TSHR (0.48) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10493617 | 0.90 | TSHR (0.42) | TSHRALDH1A1CES2CES1FAAH | |
| SCHEMBL10493542 | 0.87 | TSHR (0.42) | TSHRALDH1A1CES2CES1FAAH |
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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | claimed |
| US-20150298109-A1 | BIFUNCTIONAL ORGANIC CATALYSTS | ISIS INNOVATION LIMITED (GB) | 2015-10-22 | — | — | US | claimed |
| EP-1912948-B1 | ANTIBACTERIAL QUINOLINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2015-09-09 | — | — | EP | claimed |
| EP-2911784-A2 | BIFUNCTIONAL ORGANIC CATALYSTS | Isis Innovation Limited (GB) | 2015-09-02 | — | — | EP | claimed |
| WO-2014064466-A2 | BIFUNCTIONAL ORGANIC CATALYSTS | ISIS INNOVATION LIMITED (GB) | 2014-05-01 | — | — | WO | claimed |
| US-8399684-B2 | Sulfonamide-based organocatalysts and method for their use | STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) | 2013-03-19 | — | — | US | claimed |
| EP-2099760-B1 | ANTIBACTERIAL QUINOLINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2013-02-20 | — | — | EP | claimed |
| US-8293732-B2 | Antibacterial quinoline derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 2012-10-23 | — | — | US | claimed |
| US-20120264762-A1 | Heterocyclic Compounds as CCR2 Antagonists | ASTRAZENECA AB (SE) | 2012-10-18 | — | — | US | claimed |
| US-8273740-B2 | antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD | ACTELION PHARMACEUTICALS, LTD. (CH) | 2012-09-25 | — | — | US | claimed |
| CN-1665500-A | Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method | BRISTOL MYERS SQUIBB CO (US) | 2005-09-07 | — | — | CN | claimed |
| US-6936614-B2 | Piperidine-piperazine ligands for neurotransmitter receptors | SEPRACOR INC. (US) | 2005-08-30 | — | — | US | claimed |
| US-20040254195-A1 | Piperidine-piperazine ligands for neurotransmitter receptors | PERSONS PAUL E (US) | 2004-12-16 | — | — | US | claimed |
| US-6713479-B2 | LIGANDS FOR DOPAMINE, SEROTONIN OR NOREPINEPHRINE RECEPTORS OR TRANSPORTERS | SEPRACOR INC. | 2004-03-30 | — | — | US | claimed |
| US-6608004-B2 | Nitrogen compounds such as 2-(5-(N-phenoxy-carbonyl-N-ethyl-sulphonylamino)-4-cyano-2-fluoro-phenyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione, used as postemergence herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2003-08-19 | — | — | US | claimed |
| US-20030069140-A1 | Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one | BAYER AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | US | claimed |
| WO-2002069973-A1 | PIPERIDINE-PIPERAZINE LIGAND FOR NEUROTRANSMITTER RECEPTORS | SEPRACOR, INC. (US) | 2002-09-12 | — | — | WO | claimed |
| US-20020123499-A1 | Piperidine-piperazine ligands for neurotransmitter receptors | SEPRACOR INC. | 2002-09-05 | — | — | US | claimed |
| US-5847169-A | Process for preparing oxiranemethanamine derivatives | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1998-12-08 | — | — | US | claimed |
| EP-0653415-B1 | (Aryl-[1'-(aryl)-alkyl]-methylidene)- or (aryl-[1'(aryl)alkyl]-methyl)-dicarboxylic acid alkyl ester or their thiocarboxylic acid esters, process for their preparation and their use | THIEMANN ARZNEIMITTEL GMBH (DE) | 1998-06-24 | — | — | EP | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 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-20030069140-A1 | Substitutes 2-aryl-1,2,4-triazine-3,5-di(thi)one | DDT, SULT1E1, CYP1A1 | TSHR 42/4885ALDH1A1 80/4885CES2 211/4885 |
| US-20120264762-A1 | Heterocyclic Compounds as CCR2 Antagonists | CCR2, CCR3, CXCR2 | TSHR 997/4885ALDH1A1 3238/4885CES2 1357/4885 |
| US-20150298109-A1 | BIFUNCTIONAL ORGANIC CATALYSTS | CCNL2, UBE2L3, ARL1 | TSHR 4438/4885ALDH1A1 1163/4885CES2 1056/4885 |
| US-20020123499-A1 | Piperidine-piperazine ligands for neurotransmitter receptors | HTR5A, OPRL1, HTR2A | TSHR 549/4885ALDH1A1 888/4885CES2 162/4885 |
| US-20040254195-A1 | Piperidine-piperazine ligands for neurotransmitter receptors | HTR5A, OPRL1, HTR2A | TSHR 549/4885ALDH1A1 888/4885CES2 162/4885 |
“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.