Known targets — ChEMBL curated mechanism
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 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 3/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 SCHEMBL3823035 | 1.00 | TSHR (0.50) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| SCHEMBL15285573 | 0.88 | TSHR (0.54) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL28898077 | 0.84 | TSHR (0.52) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL676146 | 0.84 | TSHR (0.52) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL11772251 | 0.83 | TSHR (0.58) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL3783271 | 0.83 | TSHR (0.58) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL676147 | 0.83 | TSHR (0.65) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL167327 | 0.83 | TSHR (0.65) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL167326 | 0.83 | TSHR (0.65) | TSHRALDH1A1NT5EHSD17B10TDP1 | |
| Aniline SCHEMBL27607322 | 0.82 | TSHR (0.50) | TSHRALDH1A1NT5EHSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3471694-A1 | SUNSCREEN COMPOSITIONS CONTAINING A COMBINATION OF A LINEAR ULTRAVIOLET RADIATION-ABSORBING POLYETHER AND OTHER ULTRAVIOLET-SCREENING COMPOUNDS | Johnson & Johnson Consumer Inc. (US) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017218390-A1 | SUNSCREEN COMPOSITIONS CONTAINING A COMBINATION OF A LINEAR ULTRAVIOLET RADIATION-ABSORBING POLYETHER AND OTHER ULTRAVIOLET-SCREENING COMPOUNDS | JOHNSON & JOHNSON CONSUMER INC. (US) | 2017-12-21 | — | — | WO | disclosed |