Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 7/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 7/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10723921 | 0.95 | CYP2A6 (0.49) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10723284 | 0.94 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10724071 | 0.94 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10722262 | 0.94 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10723325 | 0.90 | CYP2A6 (0.53) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL21123910 | 0.83 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL10462209 | 0.77 | RARB (0.49) | CYP3A4HIF1A | |
| SCHEMBL10877709 | 0.77 | RARB (0.49) | CYP3A4HIF1A | |
| SCHEMBL10462034 | 0.76 | MCHR1 (0.45) | — | |
| SCHEMBL10461533 | 0.76 | RAB9A (0.43) | CYP3A4CYP2C9CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-4659503-A | Pyridylthiophenes | Merck Patent Gesellschaft Mit Beschrankter Huftung (DE) | 1987-04-21 | — | — | US | disclosed |
| EP-0146862-A2 | Pyridyl thiophenes | MERCK PATENT GmbH (DE) | 1985-07-03 | — | — | EP | disclosed |