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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.44 |
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.58 |
| ▸ | ACR | P10323 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.45 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 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 | |
|---|---|---|---|---|
| SCHEMBL5314183 | 0.86 | LMNA (0.53) | PRSS1ACRCES2CES1KMT2A | |
| 1,4-Dichlorobenzene SCHEMBL29046429 | 0.86 | LMNA (0.53) | PRSS1ACRCES2CES1KMT2A | |
| Benzamide SCHEMBL867781 | 0.83 | CYP2D6 (0.56) | CES2CES1KMT2AMAPTTP53 | |
| Benzamide SCHEMBL29998608 | 0.83 | CYP2D6 (0.56) | CES2CES1KMT2AMAPTTP53 | |
| SCHEMBL1498165 | 0.82 | CA2 (0.68) | PRSS1KMT2AMAPTCA2LMNA | |
| Benzamide SCHEMBL3944288 | 0.82 | CYP2D6 (0.55) | CES2CES1KMT2AMAPTTP53 | |
| 4-Chloroaniline SCHEMBL2779349 | 0.81 | ALDH1A1 (0.64) | PRSS1ACRCES2CES1KMT2A | |
| Urea SCHEMBL11794762 | 0.80 | ALDH1A1 (0.57) | PRSS1MAPTHTTCA2KDM4E | |
| SCHEMBL3898454 | 0.80 | CA2 (0.65) | PRSS1KMT2AMAPTCA2LMNA | |
| Hydrochloric Acid SCHEMBL28208881 | 0.80 | CA2 (0.65) | PRSS1KMT2AMAPTCA2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1389208-A1 | SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR ANTAGONISTS) | PHARMACIA & UPJOHN COMPANY (US) | 2004-02-18 | — | — | EP | disclosed |
| WO-2002085901-A1 | SUBSTITUTED AZABICYCLIC MOIETIES FOR THE TREATMENT OF DISEASE (NICOTINIC ACETHYLCHOLINE RECEPTOR AGONISTS) | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-31 | — | — | WO | disclosed |