Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TIPARP | Q7Z3E1 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD5 | P21918 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL793623 | 0.76 | MAPT (0.52) | ACHEALDH1A1MAPTHPGDLMNA | |
| SCHEMBL798533 | 0.74 | TIPARP (0.46) | TIPARPSCN9ACYP19A1ALDH1A1MAPT | |
| SCHEMBL807967 | 0.74 | GRM5 (0.44) | CYP19A1 | |
| SCHEMBL30101510 | 0.73 | TIPARP (0.59) | TIPARPABHD6ALDH1A1MAPTHPGD | |
| SCHEMBL5293604 | 0.72 | PDE10A (0.48) | TIPARPSCN9AACHEMAPTHPGD | |
| SCHEMBL13068144 | 0.70 | DRD2 (0.51) | ABHD6DRD2DRD1DRD5DRD3 | |
| SCHEMBL11736393 | 0.70 | DRD1 (0.67) | ABHD6MAPTDRD2DRD1DRD5 | |
| Hydrochloric Acid SCHEMBL7481922 | 0.69 | CYP19A1 (0.44) | SCN9ACYP19A1ABHD6DRD2DRD1 | |
| SCHEMBL26268651 | 0.68 | ABHD6 (0.52) | ABHD6DRD2DRD1DRD5DRD3 | |
| SCHEMBL798654 | 0.68 | PDGFRB (0.43) | DRD2DRD1DRD5DRD3 |
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-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |