Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5746249 | 0.89 | CYP3A4 (0.41) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6028975 | 0.89 | CYP3A4 (0.41) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| Hydrochloric Acid SCHEMBL6260848 | 0.88 | CYP3A4 (0.40) | CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2 | |
| SCHEMBL6028486 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6029538 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6191877 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6260585 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6191871 | 0.85 | CYP3A4 (0.45) | CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL6256360 | 0.82 | — | — | |
| SCHEMBL6262484 | 0.82 | — | — |
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-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | WO | disclosed |