Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 4-Nitroaniline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 known ✓ | P41145 | 6/20 | 0.37 |
| ▸ | TACR1 | P25103 | 4/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.37 |
| ▸ | F2 | P00734 | 3/20 | 0.37 |
| ▸ | NTMT1 | Q9BV86 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7018491 | 0.89 | TACR1 (0.43) | TACR1OPRM1OPRK1NTMT1 | |
| 4-Nitroaniline SCHEMBL20836257 | 0.89 | DPP4 (0.38) | TACR1OPRM1OPRK1F2DPP4 | |
| 4-Nitroaniline SCHEMBL29006926 | 0.87 | KMT2A (0.45) | TACR1F2 | |
| SCHEMBL5874068 | 0.85 | NTMT1 (0.44) | TACR1OPRM1OPRK1F2NTMT1 | |
| SCHEMBL15524993 | 0.84 | DPP4 (0.41) | OPRM1OPRK1F2NTMT1DPP4 | |
| SCHEMBL9577364 | 0.84 | DPP4 (0.41) | OPRM1OPRK1F2NTMT1DPP4 | |
| SCHEMBL7853147 | 0.84 | DPP4 (0.41) | OPRM1OPRK1F2NTMT1DPP4 | |
| 4-Nitroaniline SCHEMBL27635238 | 0.84 | OPRM1 (0.46) | OPRM1OPRK1F2 | |
| 4-Nitroaniline SCHEMBL10588762 | 0.84 | TGM2 (0.43) | TACR1F2DPP4 | |
| SCHEMBL11134914 | 0.84 | DPP4 (0.40) | TACR1OPRM1OPRK1F2NTMT1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997005160-A1 | BICYCLIC LACTAM DERIVATIVES AS THROMBIN INHIBITORS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1997-02-13 | — | — | WO | disclosed |