Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of 3-Nitro-Phenol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 2/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL9007683 | 0.88 | TSHR (0.58) | TSHRALDH1A1ALOX15KMT2ACYP1A2 | |
| Dinitrophenylene SCHEMBL29222862 | 0.84 | TSHR (0.57) | TSHRALDH1A1KMT2ACYP1A2CYP3A4 | |
| P-Nitrophenol SCHEMBL9470520 | 0.82 | ACHE (0.56) | ALDH1A1KMT2AACHEGAALMNA | |
| 3-Nitro-Phenol SCHEMBL28727747 | 0.82 | TSHR (0.85) | TSHRALDH1A1ALOX15KMT2AACHE | |
| SCHEMBL18423828 | 0.82 | KMT2A (0.50) | TSHRALDH1A1KMT2ACYP1A2CYP3A4 | |
| Nitrobenzene SCHEMBL660753 | 0.81 | ACHE (0.57) | TSHRALDH1A1KMT2ACYP1A2CYP3A4 | |
| 3-Nitro-Phenol SCHEMBL29556708 | 0.80 | TSHR (0.96) | TSHRALDH1A1ALOX15KMT2AACHE | |
| Metacresol SCHEMBL4408619 | 0.79 | ACHE (0.61) | TSHRALDH1A1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL19272432 | 0.78 | ACHE (0.69) | ALDH1A1KMT2AACHEGAACA2 | |
| 3-Nitro-Phenol SCHEMBL9471143 | 0.78 | TSHR (0.67) | TSHRALDH1A1ALOX15KMT2AACHE |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5186865-A | Aminoazobenzene derivatives and polymers | ALLIED-SIGNAL INC. (US) | 1993-02-16 | — | — | US | disclosed |
| US-5061404-A | WAVEGUIDES | ALLIED-SIGNAL INC. (US) | 1991-10-29 | — | — | US | disclosed |
| US-5036142-A | Reaction of diazonium salt with addition polymer containing aminophenyl group | ALLIED-SIGNAL INC. (US) | 1991-07-30 | — | — | US | disclosed |
| WO-1991009842-A1 | ELECTRO-OPTICAL MATERIALS AND LIGHT MODULATOR DEVICES CONTAINING SAME | ALLIED-SIGNAL INC. (US) | 1991-07-11 | — | — | WO | disclosed |
| WO-1991009885-A2 | PROCESS FOR MAKING ELECTRO-OPTICALLY ACTIVE POLYMERS | ALLIED-SIGNAL INC. (US) | 1991-07-11 | — | — | WO | disclosed |