Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28561738 | 0.79 | FFAR1 (0.64) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17765446 | 0.78 | CYP1A2 (0.48) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2114742 | 0.77 | APP (0.75) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5871989 | 0.77 | APP (0.75) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29074205 | 0.76 | FFAR1 (0.64) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20007129 | 0.75 | CYP3A4 (0.46) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2353493 | 0.73 | FFAR1 (0.50) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10674214 | 0.73 | CYP1A2 (0.48) | MAPTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4170188 | 0.73 | TRPA1 (0.36) | CYP1A2ALDH1A1 | |
| SCHEMBL9695259 | 0.72 | BACE1 (0.35) | CYP2D6 |
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 |