Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | DCTPP1 | Q9H773 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9089912 | 0.87 | RAB9A (0.51) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL9353126 | 0.84 | LMNA (0.43) | MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9089433 | 0.83 | RAB9A (0.47) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL9090429 | 0.80 | RAB9A (0.45) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL20702183 | 0.79 | RAB9A (0.59) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL9089099 | 0.78 | SMN1; SMN2 (0.43) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL9088185 | 0.78 | EGFR (0.50) | RAB9ANPC1MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL16832564 | 0.75 | RAB9A (0.77) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL15556442 | 0.74 | MAPT (0.50) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 | |
| SCHEMBL16014513 | 0.74 | MAPT (0.50) | RAB9ANPC1MAPTSMN1; SMN2DCTPP1 |
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-0618903-A1 | OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION | Wella Aktiengesellschaft (DE) | 1994-10-12 | — | — | EP | disclosed |
| WO-1994008970-A1 | OXIDATION HAIR DYE CONTAINING 4,5-DIAMINOPYRAZOLE DERIVATIVES AND NOVEL 4,5-DIAMINOPYRAZOLE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION | WELLA AKTIENGESELLSCHAFT (DE) | 1994-04-28 | — | — | WO | disclosed |