Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | AGXT | P21549 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16675747 | 0.83 | PRKCI (0.53) | CYP11B2CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL24721758 | 0.83 | BCL2 (0.47) | CYP11B2CYP2E1CYP2A6CYP2B6GRIN1 | |
| SCHEMBL5675196 | 0.81 | TAAR1 (0.55) | CYP11B2TAAR1DRD2 | |
| SCHEMBL19497005 | 0.80 | TAAR1 (0.45) | CYP11B2CYP2E1CYP2A6CYP2B6GRIN1 | |
| SCHEMBL21410258 | 0.77 | CYP11B2 (0.45) | CYP11B2CYP2E1CYP2A6CYP2B6GRIN1 | |
| SCHEMBL5677385 | 0.77 | EPHB4 (0.46) | MAP4K4SRCWNT3A | |
| SCHEMBL13680797 | 0.77 | CYP11B2 (0.38) | CYP11B2CYP2E1CYP2A6CYP2B6GRIN1 | |
| SCHEMBL13680468 | 0.74 | GRIN1 (0.53) | CYP11B2CYP2E1CYP2A6CYP2B6GRIN1 | |
| SCHEMBL30098552 | 0.74 | MAP4K4 (0.68) | CYP11B2CYP2E1CYP2A6CYP2B6TAAR1 | |
| SCHEMBL4700834 | 0.74 | MAP4K4 (0.68) | CYP11B2CYP2E1CYP2A6CYP2B6TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1581516-A4 | 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS | BRISTOL MYERS SQUIBB CO (US) | 2007-10-17 | — | — | EP | claimed |
| EP-1581516-A2 | 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS | Bristol-Myers Squibb Company (US) | 2005-10-05 | — | — | EP | claimed |
| WO-2004047744-A2 | 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-06-10 | — | — | WO | claimed |