Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | MAOB | P27338 | 7/20 | 0.48 |
| ▸ | MAOA | P21397 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL2541181 | 0.97 | TSHR (0.65) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL27799047 | 0.94 | TSHR (0.61) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL17710404 | 0.88 | TSHR (0.69) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL4166731 | 0.86 | TSHR (0.58) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Alcohol SCHEMBL27933948 | 0.85 | MEN1 (0.53) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL1767900 | 0.85 | TSHR (0.73) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL28885249 | 0.84 | MAPT (0.52) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL11815890 | 0.82 | TSHR (0.69) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL28143089 | 0.82 | TSHR (0.69) | TSHRMAOBMAOACYP3A4ALDH1A1 | |
| Aniline SCHEMBL27858423 | 0.82 | TSHR (0.69) | TSHRMAOBMAOACYP3A4ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105524336-B | A kind of copolymer composite and combination electrode material and preparation method thereof | 中山大学 | 2019-01-04 | — | — | CN | claimed |
| CN-105524336-B | A kind of copolymer composite and combination electrode material and preparation method thereof | 中山大学 | 2019-01-04 | — | — | CN | disclosed |
| WO-2009034386-A1 | DERIVATIVES OF ADENINE AND 8-AZA-ADENINE AND USES THEREOF-796 | ASTRAZENECA AB (SE) | 2009-03-19 | — | — | WO | disclosed |