Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | MAT2A | P31153 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5322257 | 0.88 | ALDH1A1 (0.33) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5324527 | 0.87 | CES2 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5320501 | 0.87 | CES2 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5325094 | 0.87 | CES2 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5321802 | 0.87 | CES2 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5324581 | 0.87 | CES2 (0.41) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL5320857 | 0.86 | PTH1R (0.36) | ALDH1A1HSD17B10KDM4ECES2CNR2 | |
| SCHEMBL5349124 | 0.86 | CNR2 (0.31) | CNR2 | |
| SCHEMBL5320053 | 0.85 | CHRM1 (0.38) | CNR2PTH1R | |
| SCHEMBL5323969 | 0.85 | LMNA (0.31) | HPGDNPSR1SMN1; SMN2LMNACNR2 |
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 |