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 | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.41 |
| ▸ | STS | P08842 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL10521274 | 0.99 | CYP1A2 (0.48) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL10520894 | 0.99 | CYP1A2 (0.48) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL8099497 | 0.99 | CYP1A2 (0.48) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL8105421 | 0.99 | CYP1A2 (0.48) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL7606203 | 0.99 | CYP1A2 (0.48) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL6567273 | 0.96 | CYP2C9 (0.50) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| Hexaminolevulinate SCHEMBL1177698 | 0.88 | HTR2C (0.65) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL721014 | 0.86 | DGKA (0.47) | CYP2C9CYP1A2S1PR3HTR2CALDH1A1 | |
| SCHEMBL10943783 | 0.84 | CYP1A2 (0.47) | CYP2C9CYP1A2HTR2CALDH1A1MEN1 | |
| SCHEMBL10941254 | 0.83 | CYP1A2 (0.46) | CYP2C9CYP1A2HTR2CALDH1A1MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1538160-B1 | Substituted Isoquinolin-3-carboxyamides, their preparation and medical use | FIBROGEN INC (US) | 2009-06-03 | — | — | EP | disclosed |
| EP-0911340-B1 | Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use | FIBROGEN INC (US) | 2005-07-06 | — | — | EP | disclosed |
| EP-1538160-A1 | Substituted Isoquinolin-3-carboxyamides, their preparation and medical use | FIBROGEN, INC. (US) | 2005-06-08 | — | — | EP | disclosed |
| CN-1117079-C | Substituted isoquinoline-3-formamides compounds, its preparing method and its use as medicine | FIBRE GENE INC (US) | 2003-08-06 | — | — | CN | disclosed |
| US-6093730-A | AN ENZYME INHIBITORS OF PROLYL-4-HYDROXYLASE FOR TREATING FIBROTIC DISORDERS AND INHIBITING COLLAGEN BIOSYNTHESIS | HOECHST MARION ROUSSEL DEUTSCHLAND GMBH (DE) | 2000-07-25 | — | — | US | disclosed |
| CN-1218802-A | Substituted isoquinoline-3-formamides compounds, its preparing method and its use as medicine | HOECHST MARION ROUSSEL CO LTD (DE) | 1999-06-09 | — | — | CN | disclosed |
| EP-0911340-A2 | Substituted Isoquinolin-3-Carboxyamides, their preparation and medical use | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-04-28 | — | — | EP | disclosed |