Known targets — ChEMBL curated mechanism
ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3CALCRLCHRM1CHRM2CHRM3F2RMAOAMAOBMAP2K1MAP2K2NTRK1NTRK2NTRK3OPRD1OPRK1OPRM1P2RY12PKLRSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASLC18A2SLC6A2SLC6A3TLR7TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8dacAdacBdacCfolAftsImrcAmrcBmrdApolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmB1rpmB2rpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmHrpmIrpmJrpmJ2rpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsR1rpsR2rpsSrpsTrpsUrpsZykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.58 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 6/20 | 0.57 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
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-Nitroaniline SCHEMBL10960882 | 1.00 | ALDH1A1 (0.78) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL27963818 | 0.89 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.89 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| SCHEMBL9065915 | 0.89 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL16451 | 0.89 | ALDH1A1 (1.00) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| Sulfuric Acid SCHEMBL28654341 | 0.89 | CA1 (0.62) | ALDH1A1CA1CA2CA9CA12 | |
| 4-Nitroaniline SCHEMBL8071760 | 0.87 | ALDH1A1 (0.78) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL10898837 | 0.87 | ALDH1A1 (0.78) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL28189154 | 0.87 | ALDH1A1 (0.64) | ALDH1A1KMT2AMEN1MAPTESR1 | |
| 4-Nitroaniline SCHEMBL28869855 | 0.86 | ALDH1A1 (0.86) | ALDH1A1KMT2AMEN1MAPTESR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4128513-A | BLACK, THERMOSET FOAM | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1978-12-05 | — | — | US | disclosed |