Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28835634 | 0.84 | TAAR1 (0.52) | TAAR1SLC6A3NPC1RAB9AHCAR2 | |
| SCHEMBL28835631 | 0.82 | KIT (0.45) | NPC1RAB9AHCAR2KITFLT3 | |
| SCHEMBL28835666 | 0.73 | TAAR1 (0.54) | TAAR1SLC6A3NPC1RAB9AHCAR2 | |
| SCHEMBL30324568 | 0.70 | TAAR1 (0.58) | TAAR1SLC6A3NPC1RAB9A | |
| SCHEMBL28835596 | 0.69 | TAAR1 (0.56) | TAAR1SLC6A3NPC1RAB9AHCAR2 | |
| Hydrochloric Acid SCHEMBL30324517 | 0.69 | TAAR1 (0.57) | TAAR1SLC6A3NPC1RAB9A | |
| SCHEMBL28835645 | 0.66 | TAAR1 (0.49) | TAAR1SLC6A3NPC1RAB9AHCAR2 | |
| Ralmitaront SCHEMBL19356836 | 0.66 | TAAR1 (1.00) | TAAR1SLC6A3 | |
| Ralmitaront SCHEMBL19356815 | 0.66 | TAAR1 (1.00) | TAAR1SLC6A3 | |
| Ralmitaront SCHEMBL29042164 | 0.65 | TAAR1 (0.98) | TAAR1SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114874143-A | Regulator containing pyrazole derivatives, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |