Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Phenoxyaniline. 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 | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.75 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | MITF | O75030 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | GFER | P55789 | 1/20 | 0.57 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.57 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.57 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.57 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| 4-Phenoxyaniline SCHEMBL159084 | 0.87 | MAOA (1.00) | MAOAMEN1KMT2ANPC1RAB9A | |
| Diphenylether SCHEMBL28089995 | 0.87 | MAOA (1.00) | MAOAMEN1KMT2ANPC1RAB9A | |
| Diphenylether SCHEMBL29175285 | 0.87 | LTA4H (0.67) | RAB9ATSHRSMN1; SMN2MAPTPARP10 | |
| SCHEMBL554324 | 0.87 | MAOA (1.00) | MAOAMEN1KMT2ANPC1RAB9A | |
| Diphenylether SCHEMBL1830446 | 0.87 | LTA4H (0.67) | RAB9ATSHRSMN1; SMN2MAPTPARP10 | |
| Acetic Acid SCHEMBL4630370 | 0.84 | SMN1; SMN2 (0.81) | MAOAMEN1KMT2ANPC1RAB9A | |
| Diphenylether SCHEMBL8671677 | 0.84 | LTA4H (0.63) | RAB9ATSHRSMN1; SMN2MAPTPARP10 | |
| 4-Phenoxyaniline SCHEMBL2830851 | 0.84 | MAOA (0.95) | MAOAMEN1KMT2ANPC1RAB9A | |
| 4-Phenoxyaniline SCHEMBL3318254 | 0.84 | MAOA (0.69) | MAOAMEN1KMT2ANPC1RAB9A | |
| 4-Phenoxyaniline SCHEMBL29256862 | 0.84 | SRD5A2 (0.72) | MAOAMEN1KMT2ANPC1RAB9A |
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-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| EP-0721944-B1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LTD (JP) | 2001-01-17 | — | — | EP | disclosed |
| US-5691335-A | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 1997-11-25 | — | — | US | disclosed |
| EP-0721944-A1 | IMIDAZOLIDINE DERIVATIVE AND USE THEREOF | SUNTORY LIMITED (JP) | 1996-07-17 | — | — | EP | disclosed |