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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 5/20 | 0.54 |
| ▸ | ERBB2 known ✓ | P04626 | 5/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8098380 | 0.92 | EGFR (0.52) | EGFRERBB2CYP1A2CYP2C9TAAR1 | |
| SCHEMBL8099886 | 0.82 | CYP2C9 (0.58) | EGFRERBB2CYP1A2CYP2C9ALDH1A1 | |
| Phenylethyl Alcohol SCHEMBL28633356 | 0.82 | TDP1 (0.53) | CYP1A2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL7539405 | 0.81 | PKM (0.50) | TAAR1LMNAL3MBTL1 | |
| SCHEMBL31510169 | 0.78 | TSHR (0.50) | ALDH1A1KDM4EMAPTSMN1; SMN2TDP1 | |
| SCHEMBL643177 | 0.78 | TAAR1 (0.63) | TAAR1ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| Alcohol SCHEMBL7528524 | 0.77 | TAAR1 (0.57) | CYP1A2TAAR1TDP1 | |
| SCHEMBL2595657 | 0.75 | ALDH1A1 (0.66) | EGFRERBB2CYP1A2TAAR1CYP19A1 | |
| SCHEMBL8098024 | 0.75 | EGFR (0.51) | EGFRERBB2TAAR1CYP19A1PTGER1 | |
| SCHEMBL3238340 | 0.75 | ACMSD (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |