Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 8/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL8550178 | 0.89 | PDE4D (0.42) | PDE4DAKR1C3AKR1C2AKR1C1PTGS1 | |
| Hydrochloric Acid SCHEMBL8555644 | 0.85 | CYP3A4 (0.44) | PDE4DCYP11B2CYP11B1CYP17A1CYP19A1 | |
| SCHEMBL5752462 | 0.80 | CYP11B2 (0.55) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2C9 | |
| SCHEMBL8551240 | 0.76 | SMN1; SMN2 (0.44) | PDE4DCYP17A1KCNA5SLC6A2SLC6A4 | |
| Ammonia Solution, Strong SCHEMBL6000232 | 0.75 | KCNA5 (0.56) | PDE4DCYP11B2CYP11B1CYP17A1CYP19A1 | |
| Ammonia Solution, Strong SCHEMBL5999968 | 0.74 | CYP17A1 (0.61) | PDE4DCYP17A1CYP19A1KCNA5SLC6A2 | |
| SCHEMBL7817339 | 0.74 | CYP11B2 (0.50) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2C9 | |
| SCHEMBL8550753 | 0.72 | TBXAS1 (0.45) | PDE4DCYP2C9NPC1RAB9A | |
| SCHEMBL8553222 | 0.71 | PDE4D (0.49) | PDE4DAKR1C3AKR1C2AKR1C1PTGS1 | |
| SCHEMBL8477516 | 0.70 | CYP11B2 (0.51) | CYP11B2CYP11B1CYP17A1CYP19A1CYP2C9 |
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 |