Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 2/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 2/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8551012 | 0.89 | PDE4D (0.47) | PDE4DCYP11B1CYP11B2CYP19A1CYP3A4 | |
| SCHEMBL8553222 | 0.83 | PDE4D (0.49) | PDE4DCYP11B1CYP11B2CYP19A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL8555644 | 0.81 | CYP3A4 (0.44) | PDE4DCYP11B1CYP11B2CYP19A1CYP3A4 | |
| SCHEMBL8318114 | 0.74 | SMN1; SMN2 (0.57) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8551240 | 0.73 | SMN1; SMN2 (0.44) | PDE4DSLC6A2SLC6A4SLC6A3KCNA5 | |
| SCHEMBL8481502 | 0.73 | CYP11B1 (0.40) | CYP11B1CYP11B2CYP19A1CYP51A1CYP2C9 | |
| SCHEMBL8317319 | 0.72 | KCNA5 (0.40) | PDE4DCYP19A1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL8313802 | 0.71 | FFAR1 (0.53) | PDE4DKCNA5 | |
| SCHEMBL9311940 | 0.70 | HRH1 (0.42) | PDE4DCYP19A1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL8319920 | 0.70 | PDE4D (0.48) | PDE4DKCNA5 |
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 |