Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 3/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6571563 | 0.92 | HTR7 (0.45) | HTR7HSP90AA1ALDH1A1HSD17B10TDP1 | |
| SCHEMBL6571392 | 0.89 | PDK2 (0.39) | TSHREP300HSP90AA1ALDH1A1HSD17B10 | |
| SCHEMBL4398788 | 0.77 | TP53 (0.67) | TP53CA1CA2TSHRHTR7 | |
| SCHEMBL6573517 | 0.77 | NR3C1 (0.41) | TSHRHTR7HSP90AA1ALDH1A1HSD17B10 | |
| SCHEMBL6573246 | 0.76 | GAA (0.43) | TSHRHTR7ALDH1A1HSD17B10TDP1 | |
| SCHEMBL3790053 | 0.76 | ALDH1A1 (0.52) | TP53TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL6571911 | 0.74 | ALDH1A1 (0.49) | CA1CA2HSP90AA1ALDH1A1HSD17B10 | |
| SCHEMBL6571922 | 0.73 | TSHR (0.41) | CA1CA2TSHRALDH1A1HSD17B10 | |
| SCHEMBL6572709 | 0.73 | ALDH1A1 (0.41) | TP53CA1CA2HSP90AA1ALDH1A1 | |
| SCHEMBL6572283 | 0.73 | PTGER4 (0.39) | TSHRALDH1A1HSD17B10TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |