Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MARS1 | P56192 | 5/20 | 0.41 |
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 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 | |
|---|---|---|---|---|
| SCHEMBL8555184 | 0.88 | KCNA5 (0.40) | CYP3A4PDK1SLC6A4SMN1; SMN2CYP17A1 | |
| SCHEMBL8118468 | 0.86 | KCNA5 (0.45) | CYP3A4CYP3A5SLC6A4SLC6A3CYP19A1 | |
| SCHEMBL8550686 | 0.86 | KCNA5 (0.43) | CYP3A4CYP3A5SLC6A4CYP19A1CYP17A1 | |
| SCHEMBL8117056 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP3A5LMNAMMEMEN1 | |
| SCHEMBL8552624 | 0.82 | CYP19A1 (0.47) | CYP3A4SMN1; SMN2CYP19A1CYP17A1CYP11B1 | |
| SCHEMBL8109544 | 0.82 | SMN1; SMN2 (0.44) | CYP3A4SLC6A4SLC6A3HTTSMN1; SMN2 | |
| SCHEMBL8555652 | 0.81 | PPARG (0.41) | CYP3A4MMESMN1; SMN2NPSR1CYP17A1 | |
| SCHEMBL8133883 | 0.80 | CYP17A1 (0.40) | CYP3A4LMNAHPGDSLC6A4SLC6A3 | |
| SCHEMBL8551523 | 0.79 | CYP17A1 (0.47) | CYP3A4CYP3A5LMNAHPGDSLC6A4 | |
| SCHEMBL8552479 | 0.79 | PRKCI (0.44) | HPGDHTTSMN1; SMN2CYP19A1CYP17A1 |
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 |