Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 3/20 | 0.33 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.32 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6571288 | 0.98 | RELA (0.33) | RELANR4A1NCOA1NCOA3TDP1 | |
| SCHEMBL30075769 | 0.78 | TDP1 (0.50) | TDP1ALDH1A1CYP3A4TSHRMEN1 | |
| SCHEMBL2479814 | 0.78 | TDP1 (0.50) | TDP1ALDH1A1CYP3A4TSHRMEN1 | |
| SCHEMBL28697163 | 0.78 | ALDH1A1 (0.50) | NR4A1TDP1ALDH1A1CYP3A4TSHR | |
| SCHEMBL453782 | 0.78 | TDP1 (0.56) | RELANR4A1TDP1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6574161 | 0.76 | ALDH1A1 (0.57) | RELANR4A1TDP1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL6571929 | 0.76 | TDP1 (0.48) | TDP1ALDH1A1CYP3A4TSHRMEN1 | |
| SCHEMBL1578431 | 0.75 | MAOA (0.59) | NR4A1NCOA1NCOA3TDP1ALDH1A1 | |
| SCHEMBL6574770 | 0.74 | TDP1 (0.37) | TDP1ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL6570781 | 0.74 | TDP1 (0.60) | TDP1ALDH1A1CYP3A4TSHRMEN1 |
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-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | claimed |
| EP-1051143-B1 | OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES | WELLA AG (DE) | 2004-07-21 | — | — | EP | disclosed |