Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | GAK | O14976 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10724071 | 1.00 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10722262 | 1.00 | CYP2A6 (0.48) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10723921 | 0.98 | CYP2A6 (0.49) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10721815 | 0.94 | CYP2A6 (0.50) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL10723325 | 0.88 | CYP2A6 (0.53) | CYP2A6CYP2B6CYP2E1DRD2HTR6 | |
| SCHEMBL21123910 | 0.81 | CYP2A6 (0.56) | CYP2A6CYP2B6CYP2E1GAKCYP3A4 | |
| SCHEMBL10460929 | 0.78 | MAPT (0.56) | MAPTRAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10462220 | 0.78 | MAPT (0.56) | MAPTRAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10462015 | 0.78 | MAPT (0.56) | MAPTRAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10462486 | 0.78 | MAPT (0.56) | MAPTRAB9ASMN1; SMN2KDM4EMEN1 |
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 |