Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KIT | P10721 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
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 SCHEMBL6573181 | 0.98 | PTGS2 (0.49) | PTGS2PTGS1ALDH1A1MEN1NPC1 | |
| Hydrochloric Acid SCHEMBL6573114 | 0.83 | ALDH1A1 (0.53) | ALDH1A1MEN1KMT2ASMN1; SMN2KIT | |
| SCHEMBL76201 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL27868120 | 0.79 | MAPT (0.53) | ALDH1A1MEN1NPC1RAB9AKMT2A | |
| SCHEMBL20329652 | 0.78 | ALDH1A1 (0.60) | PTGS2PTGS1ALDH1A1MEN1NPC1 | |
| SCHEMBL9464193 | 0.76 | CYP17A1 (0.61) | PTGS2PTGS1ALDH1A1MEN1NPC1 | |
| SCHEMBL20329857 | 0.75 | KIT (0.43) | PTGS2PTGS1ALDH1A1MEN1NPC1 | |
| SCHEMBL5843621 | 0.75 | FYN (0.46) | ALDH1A1CYP3A4TSHRHSD17B10TDP1 | |
| SCHEMBL453782 | 0.74 | TDP1 (0.56) | ALDH1A1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL3784958 | 0.73 | NTRK1 (0.49) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP3A4 |
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 |