Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | F2 | P00734 | 2/20 | 0.51 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.51 |
| ▸ | HPN | P05981 | 8/20 | 0.50 |
| ▸ | PLAU | P00749 | 8/20 | 0.50 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.49 |
| ▸ | NQO2 | P16083 | 1/20 | 0.47 |
| ▸ | TMPRSS6 | Q8IU80 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112871 | 0.93 | ALDH1A1 (0.58) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| Guanidine SCHEMBL811270 | 0.88 | CYP2D6 (0.61) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| SCHEMBL8558497 | 0.87 | GAA (0.61) | F2PRSS1PRSS2PRSS3HPN | |
| Thiourea SCHEMBL1577311 | 0.85 | CYP2D6 (0.58) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| 4-Methylbenzimidamide SCHEMBL1050355 | 0.82 | NQO2 (0.51) | F2PRSS1PRSS2PRSS3HPN | |
| Urea SCHEMBL11794762 | 0.82 | ALDH1A1 (0.57) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| Hydroxyamine SCHEMBL599912 | 0.82 | ALDH1A1 (0.58) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| Hydrazine SCHEMBL8861759 | 0.82 | ALDH1A1 (0.58) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| Hno SCHEMBL3391939 | 0.82 | GAA (0.56) | CYP2D6MAPK1F2PRSS1PRSS2 | |
| Hydrochloric Acid SCHEMBL28186626 | 0.82 | ALDH1A1 (0.59) | CYP2D6MAPK1F2PRSS1PRSS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6140353-A | USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-10-31 | — | — | US | disclosed |