Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.41 |
| ▸ | MGLL | Q99685 | 3/20 | 0.41 |
| ▸ | GPR3 | P46089 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16624027 | 0.89 | HRH3 (0.54) | HRH3CYP17A1CYP2C9CYP2C19ABHD6 | |
| SCHEMBL18035004 | 0.83 | GPR3 (0.43) | HRH3CYP17A1CYP2C9CYP2C19ABHD6 | |
| SCHEMBL18033541 | 0.81 | HRH3 (0.50) | HRH3ABHD6MGLLBACE1ALDH1A1 | |
| SCHEMBL16624049 | 0.79 | CYP17A1 (0.41) | CYP17A1CYP2C9CYP2C19BACE1 | |
| SCHEMBL12367363 | 0.76 | DRD1 (0.47) | HRH3ABHD6ALDH1A1 | |
| SCHEMBL18034960 | 0.75 | DRD1 (0.56) | HRH3SIGMAR1 | |
| SCHEMBL22652324 | 0.75 | MGLL (0.56) | HRH3ABHD6MGLLALDH1A1 | |
| SCHEMBL13938028 | 0.74 | TMEM97 (0.54) | SIGMAR1ALDH1A1TMEM97KCNH2 | |
| SCHEMBL3875381 | 0.73 | ABHD6 (0.53) | ABHD6MGLL | |
| SCHEMBL13385116 | 0.73 | HRH3 (0.58) | HRH3SIGMAR1 |
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-3053917-A1 | T-TYPE CALCIUM CHANNEL BLOCKER | Nissan Chemical Industries, Ltd. (JP) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050212-A1 | T-TYPE CALCIUM CHANNEL BLOCKER | 日産化学工業株式会社 | 2015-04-09 | — | — | WO | disclosed |