Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | CCKBR | P32239 | 5/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | CCKAR | P32238 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5328236 | 1.00 | OPRM1 (0.35) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5320501 | 0.88 | CES2 (0.41) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5324581 | 0.88 | CES2 (0.41) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5325094 | 0.88 | CES2 (0.41) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5324527 | 0.88 | CES2 (0.41) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5321802 | 0.88 | CES2 (0.41) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5293012 | 0.85 | CES2 (0.37) | OPRM1OPRL1OPRK1CES2ALDH1A1 | |
| SCHEMBL5321156 | 0.84 | CYP2D6 (0.39) | CES2ALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL5321151 | 0.84 | CYP2D6 (0.39) | CES2ALDH1A1GAAHPGDHSD17B10 | |
| SCHEMBL5324216 | 0.83 | PTH1R (0.41) | CES2ALDH1A1GAAHPGDHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006129120-A9 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-03-22 | — | — | WO | disclosed |
| WO-2006129120-A2 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2006-12-07 | — | — | WO | disclosed |