Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 2/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10372128 | 0.81 | NPC1 (0.63) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL10374433 | 0.79 | NPC1 (0.61) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL11201622 | 0.79 | NPC1 (0.61) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| 4-Methoxysalicylic Acid SCHEMBL154118 | 0.78 | NPC1 (0.70) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| 4-Methoxysalicylic Acid SCHEMBL9277153 | 0.78 | NPC1 (0.70) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL1514997 | 0.75 | NPC1 (1.00) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL38652 | 0.75 | NPC1 (1.00) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL29365072 | 0.75 | NPC1 (1.00) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| Zinc Ion SCHEMBL11201614 | 0.74 | NPC1 (0.70) | NPC1RAB9AHPGDALDH1A1MAPK1 | |
| SCHEMBL6851855 | 0.73 | NPC1 (0.75) | NPC1RAB9AHPGDALDH1A1MAPK1 |
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-0037318-B1 | COMPOSITION, PARTICULARLY USEFUL IN THE TREATMENT AND PREVENTION OF DANDRUFF AND CONTAINING METALLIC DERIVATIVES OF THIOBENZOIC ACID | PIERRE FABRE S.A. (FR) | 1983-04-06 | — | — | EP | claimed |