Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of O-Tolylamine. 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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.68 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | CD44 | P16070 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| O-Tolylamine SCHEMBL27607964 | 1.00 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCALDH1A1 | |
| O-Tolylamine SCHEMBL11454675 | 0.98 | CYP3A4 (0.65) | CYP3A4TDP1CD44MYCALDH1A1 | |
| O-Tolylamine SCHEMBL11292723 | 0.91 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCALDH1A1 | |
| O-Tolylamine SCHEMBL7170684 | 0.91 | CYP3A4 (0.68) | CYP3A4TDP1CD44MYCALDH1A1 | |
| O-Tolylamine SCHEMBL27622148 | 0.87 | CYP3A4 (0.88) | CYP3A4TDP1CD44ALDH1A1GAA | |
| O-Tolylamine SCHEMBL29875684 | 0.87 | TDP1 (0.58) | CYP3A4TDP1CD44MYCALDH1A1 | |
| Acetic Acid SCHEMBL9167204 | 0.85 | CYP3A4 (0.59) | CYP3A4TDP1ALDH1A1MAPTGAA | |
| Acetic Acid SCHEMBL8748134 | 0.85 | CYP3A4 (0.59) | CYP3A4TDP1ALDH1A1MAPTGAA | |
| Acetic Acid SCHEMBL7113663 | 0.85 | CYP3A4 (0.59) | CYP3A4TDP1ALDH1A1MAPTGAA | |
| O-Tolylamine SCHEMBL29875692 | 0.85 | TDP1 (0.60) | CYP3A4TDP1CD44MYCALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20040194234-A1 | Dyed and/or printed non-woven fabric | CARL FREUDENBERG KG (DE) | 2004-10-07 | — | — | US | claimed |
| US-20040194234-A1 | Dyed and/or printed non-woven fabric | CARL FREUDENBERG KG (DE) | 2004-10-07 | — | — | US | disclosed |