Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.50 |
| ▸ | RAB9A | P51151 | 10/20 | 0.50 |
| ▸ | ATR | Q13535 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL1625212 | 0.88 | NPC1 (0.60) | NPC1RAB9AATRDGAT1 | |
| SCHEMBL1624353 | 0.87 | TRPV1 (0.51) | NPC1RAB9ATRPV1AURKA | |
| SCHEMBL1625531 | 0.87 | TRPV1 (0.51) | NPC1RAB9ATRPV1AURKA | |
| SCHEMBL1624266 | 0.84 | NPC1 (0.60) | NPC1RAB9AATRAURKAKDR | |
| SCHEMBL1625249 | 0.84 | NPC1 (0.55) | NPC1RAB9AATRAURKAKDR | |
| Benzamide SCHEMBL27756821 | 0.84 | NPC1 (0.43) | NPC1RAB9AATRAURKAKDR | |
| SCHEMBL1623276 | 0.80 | KCNQ3 (0.56) | NPC1RAB9AATRDGAT1 | |
| SCHEMBL1625106 | 0.73 | HDAC1 (0.46) | NPC1RAB9AATRDGAT1BTK | |
| SCHEMBL1623219 | 0.73 | MTOR (0.53) | NPC1RAB9A | |
| SCHEMBL1623606 | 0.73 | RAF1 (0.55) | NPC1RAB9ADGAT1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7928133-B2 | Compounds and compositions as hedgehog signaling pathway modulators | IRM LLC (BM) | 2011-04-19 | — | — | US | claimed |