Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 2/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6574188 | 0.98 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6570989 | 0.79 | ALDH1A1 (0.50) | ALDH1A1RAB9ASMN1; SMN2CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL6574711 | 0.77 | ALDH1A1 (0.48) | ALDH1A1RAB9ASMN1; SMN2CYP3A4TDP1 | |
| SCHEMBL5133404 | 0.75 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6573216 | 0.75 | PTGDR2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL28854577 | 0.74 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1TP53TSHR | |
| Hydrochloric Acid SCHEMBL7690552 | 0.73 | PTGDR2 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL7692396 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1TP53TSHR | |
| SCHEMBL3338155 | 0.72 | CASP1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL6574765 | 0.70 | RELA (0.33) | ALDH1A1CYP3A4TDP1TP53TSHR |
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 |