Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | PTH1R | Q03431 | 11/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 2/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ARF6 | P62330 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | KDM4B | O94953 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5285662 | 1.00 | CES2 (0.42) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5322785 | 1.00 | CES2 (0.42) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5330298 | 0.93 | PTH1R (0.39) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5326307 | 0.92 | PTH1R (0.49) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5323429 | 0.90 | CES2 (0.42) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5320857 | 0.89 | PTH1R (0.36) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5319651 | 0.88 | PTH1R (0.37) | CES2PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5326115 | 0.86 | PTH1R (0.51) | PTH1RKDM4EHSD17B10ALDH1A1 | |
| SCHEMBL5329713 | 0.85 | PTH1R (0.45) | PTH1RKDM4EHSD17B10ALDH1A1NPC1 | |
| SCHEMBL5281832 | 0.84 | L3MBTL3 (0.42) | KDM4EALDH1A1CHRM1 |
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 |