Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 16/20 | 0.50 |
| ▸ | CDK9 | P50750 | 16/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2788485 | 0.77 | CCNT1 (0.51) | CCNT1CDK9KCNH2 | |
| SCHEMBL7901873 | 0.74 | CCNT1 (0.45) | CCNT1CDK9KCNH2 | |
| SCHEMBL2791447 | 0.73 | CYP2D6 (0.41) | CCNT1CDK9CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL2007168 | 0.72 | CCNT1 (0.58) | CCNT1CDK9 | |
| SCHEMBL16455075 | 0.70 | HTR3A (0.47) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| Hydrochloric Acid SCHEMBL16446414 | 0.69 | HTR3A (0.46) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL24127250 | 0.68 | CYP2D6 (0.54) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL30022158 | 0.68 | SLC6A2 (0.90) | CYP2D6SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL16041020 | 0.67 | CDK9 (1.00) | CCNT1CDK9 | |
| SCHEMBL7380797 | 0.67 | HTR2A (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010111634-A2 | RENIN INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |