Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTH1R | Q03431 | 8/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CCKBR | P32239 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5332531 | 0.91 | PTH1R (0.44) | PTH1RCYP19A1HSD17B10KDM4EALDH1A1 | |
| SCHEMBL5285662 | 0.86 | CES2 (0.42) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5322785 | 0.86 | CES2 (0.42) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5331038 | 0.86 | CES2 (0.42) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5326307 | 0.83 | PTH1R (0.49) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5330298 | 0.82 | PTH1R (0.39) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5319651 | 0.82 | PTH1R (0.37) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5320857 | 0.81 | PTH1R (0.36) | PTH1RHSD17B10KDM4EALDH1A1 | |
| SCHEMBL5281832 | 0.78 | L3MBTL3 (0.42) | KDM4EALDH1A1 | |
| SCHEMBL5323429 | 0.77 | CES2 (0.42) | PTH1RHSD17B10KDM4EALDH1A1 |
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 |