Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Aniline. 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 | 6/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11158604 | 0.90 | TSHR (0.58) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| SCHEMBL3798956 | 0.87 | ALDH1A1 (0.62) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| Aniline SCHEMBL5163820 | 0.85 | ALDH1A1 (0.63) | ALDH1A1TDP1TSHRNT5ECYP2D6 | |
| Toluene SCHEMBL27786057 | 0.78 | TSHR (0.69) | ALDH1A1TDP1TSHRNT5ECYP2D6 | |
| Sulfuric Acid SCHEMBL31071037 | 0.78 | ALDH1A1 (0.75) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| Sulfuric Acid SCHEMBL5701214 | 0.78 | ALDH1A1 (0.75) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| Aniline SCHEMBL747933 | 0.78 | ALDH1A1 (0.82) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| SCHEMBL6410217 | 0.77 | ALDH1A1 (0.72) | ALDH1A1TDP1ADRA2BPTGS1TSHR | |
| SCHEMBL11782818 | 0.77 | TSHR (0.78) | ALDH1A1TDP1TSHRNT5ECYP2D6 | |
| SCHEMBL8421197 | 0.77 | TSHR (0.78) | ALDH1A1TDP1TSHRNT5ECYP2D6 |
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-4956441-A | Polyaniline copolymers that are conductive, useful in thin film technology, radio frequency shields, antistatic agents, protective coatings | COOKSON GROUP PLC (GB) | 1990-09-11 | — | — | US | disclosed |