Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.34 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16742973 | 0.75 | MEN1 (0.38) | ALDH1A1MAPK1LMNAHTTMEN1 | |
| SCHEMBL2602424 | 0.75 | ALDH1A1 (0.39) | PIN1ALDH1A1MAPK1LMNAHTT | |
| SCHEMBL1699168 | 0.75 | ERN1 (0.41) | ALDH1A1MAPK1LMNAHTTMEN1 | |
| SCHEMBL4070781 | 0.75 | TDP1 (0.39) | ALDH1A1MAPK1MEN1KMT2ACYP3A4 | |
| SCHEMBL1437304 | 0.75 | MEN1 (0.53) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL11746342 | 0.75 | MEN1 (0.38) | ALDH1A1MAPK1LMNAHTTMEN1 | |
| Hydrochloric Acid SCHEMBL31546288 | 0.73 | MEN1 (0.51) | ALDH1A1LMNAHTTMEN1KMT2A | |
| SCHEMBL12341859 | 0.73 | ALDH1A1 (0.49) | ALDH1A1MAPK1LMNAHTTMEN1 | |
| SCHEMBL29389721 | 0.71 | PIN1 (0.53) | PIN1 | |
| SCHEMBL29445407 | 0.71 | MAPK1 (0.44) | PIN1ALDH1A1MAPK1TSHRGPR35 |
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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108341813-B | Substituted 1- (isoxazol-3-yl) -3- (3-fluoro-4-phenyl) urea derivative and preparation method and application thereof | 四川大学 | 2020-11-17 | — | — | CN | disclosed |
| EP-2585462-B1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICALS CO (JP) | 2020-02-26 | — | — | EP | disclosed |
| EP-2585462-B1 | FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS | TAKEDA PHARMACEUTICALS CO (JP) | 2020-02-26 | — | — | EP | disclosed |
| EP-2743271-B1 | PIM KINASE INHIBITORS AND PREPARATION METHOD AND USE IN MEDICINAL MANUFACTURE THEREOF | JIKAI BIOSCIENCES INC (CN) | 2017-05-31 | — | — | EP | disclosed |
| EP-2460789-B1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2017-04-19 | — | — | EP | disclosed |
| CN-103153995-B | Condensed heterocyclic compouds as phosphodiesterase (PDES) inhibitor | 武田药品工业株式会社 | 2016-08-10 | — | — | CN | disclosed |
| US-9226921-B2 | Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-05 | — | — | US | disclosed |
| US-9226921-B2 | Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-05 | — | — | US | disclosed |
| US-9226921-B2 | Fused heterocyclic compounds as phosphodiesterases (PDES) inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-01-05 | — | — | US | disclosed |
| US-9090594-B2 | PIM kinase inhibitors and preparation methods and use in medicinal manufacture thereof | Jikai Biosciences, Inc. (CN) | 2015-07-28 | — | — | US | disclosed |
| US-20060047126-A1 | Lonidamine analogues and their use in male contraception and cancer treatment | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2006-03-02 | — | — | US | disclosed |
| CN-1615301-A | Dithiocarbamate derivatives and their use as antibacterial agents | MEDAC KLINISCHE SPEZIALPRAEP (IT) | 2005-05-11 | — | — | CN | disclosed |
| US-20050032822-A1 | Dithiocarbamate derivatives and their use as antibacterial agents | NEED PHARMACEUTICALS S.R.L. (IT) | 2005-02-10 | — | — | US | disclosed |
| EP-1448533-A1 | DITHIOCARBAMATE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | Medac Gesellschaft für klinische Spezialpräparate mbH (DE) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003042186-A1 | DITHIOCARBAMATE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | Medac Gesellschaft für klinische Spezialpräparate mbH (DE) | 2003-05-22 | — | — | WO | disclosed |
| EP-1312607-A1 | Dithiocarbamate derivatives and their use as antibacterial agents | MEDAC GmbH (DE) | 2003-05-21 | — | — | EP | disclosed |
| CN-1255042-A | Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them | ISK AMERICAS INC (US) | 2000-05-31 | — | — | CN | disclosed |
| EP-0631581-A4 | INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE. | BAILEY STEVENW (US) | 1995-08-02 | — | — | EP | disclosed |
| EP-0631581-A1 | INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE | BAILEY, StevenW. (US) | 1995-01-04 | — | — | EP | disclosed |
| WO-1993019069-A1 | INTERMEDIATES AND A PROCESS FOR SYNTHESIS OF TETRAHYDROPTERIDINE C6-STEREOISOMERS, INCLUDING (6S)-TETRAHYDROFOLATE AND N5-FORMYL-(6S)-TETRHYDROFOLATE | BAILEY STEVEN W (US) | 1993-09-30 | — | — | 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 (2 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-20060047126-A1 | Lonidamine analogues and their use in male contraception and cancer treatment | TRAP1, HSPE1, HSF1 | PIN1 2870/4885ALDH1A1 1663/4885MAPK1 1006/4885 |
| US-20050032822-A1 | Dithiocarbamate derivatives and their use as antibacterial agents | DLAT, TBCA, TST | PIN1 3177/4885ALDH1A1 1413/4885MAPK1 2038/4885 |
“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.