Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.42 |
| ▸ | ITGAV | P06756 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL27539172 | 0.93 | SLC6A2 (0.52) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8555025 | 0.90 | PDE4D (0.52) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8553222 | 0.84 | PDE4D (0.49) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8553432 | 0.80 | CYP17A1 (0.55) | PDE4DTBXAS1ITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL8552254 | 0.76 | SUCNR1 (0.50) | PDE4DITGB3ITGAVITGA2B | |
| SCHEMBL9519691 | 0.75 | L3MBTL1 (0.50) | PDE4DTBXAS1ITGB3ITGAVSMN1; SMN2 | |
| SCHEMBL3413768 | 0.73 | LMNA (0.55) | CYP2D6LMNAHPGDALDH1A1 | |
| SCHEMBL11990053 | 0.73 | TBXAS1 (0.63) | SLC6A2SLC6A4SLC6A3PDE4DTBXAS1 | |
| SCHEMBL16114167 | 0.72 | SLC6A2 (0.64) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8775880 | 0.71 | LMNA (0.53) | SLC6A2SLC6A4SLC6A3PDE4DTBXAS1 |
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-0865431-A2 | COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997020815-A1 | COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-06-12 | — | — | WO | disclosed |