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 | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.41 |
| ▸ | ADAM17 | P78536 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5701302 | 0.94 | DRD2 (0.41) | MMP1ADAM17MMP9MMP13DRD2 | |
| Sb-773812 SCHEMBL5456117 | 0.91 | MMP1 (0.45) | MMP1ADAM17MMP9MMP13DRD2 | |
| Sb-773812 SCHEMBL29377490 | 0.84 | DRD2 (0.50) | DRD2HTR2AHTR2CDRD3HTR6 | |
| Sb-773812 SCHEMBL3896727 | 0.84 | DRD2 (0.50) | DRD2HTR2AHTR2CDRD3HTR6 | |
| SCHEMBL4889865 | 0.84 | DRD2 (0.50) | DRD2HTR2AHTR2CDRD3HTR6 | |
| Sb-773812 SCHEMBL3893974 | 0.83 | DRD2 (0.49) | DRD2HTR2AHTR2CDRD3HTR6 | |
| Hydrochloric Acid SCHEMBL3897702 | 0.83 | DRD2 (0.49) | DRD2HTR2AHTR2CDRD3HTR6 | |
| Sb-773812 SCHEMBL5471358 | 0.80 | REV1 (0.45) | MMP1ADAM17MMP9MMP13DRD2 | |
| Sb-773812 SCHEMBL4510111 | 0.80 | REV1 (0.45) | MMP1ADAM17MMP9MMP13DRD2 | |
| Sb-773812 SCHEMBL4510120 | 0.80 | REV1 (0.45) | MMP1ADAM17MMP9MMP13DRD2 |
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-1687279-A1 | 7- [4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS | GLAXO GROUP LIMITED (GB) | 2006-08-09 | — | — | EP | disclosed |
| WO-2005051916-A1 | 7-[4-(4-CHLOROBENZYLOXY) BENZENESULFONYL]-8-METHOXY-3-METHYL-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINIUM MALEATE OR TOSYLATE AS ANTIPSYCHOTICS | GLAXO GROUP LIMITED (GB) | 2005-06-09 | — | — | WO | disclosed |