Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3402801 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL149582 | 0.81 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL9682291 | 0.78 | LMNA (0.52) | AKR1C3MEN1KMT2A | |
| SCHEMBL9682285 | 0.78 | LMNA (0.52) | AKR1C3MEN1KMT2A | |
| SCHEMBL28504927 | 0.78 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL1475036 | 0.77 | NFE2L2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL31147160 | 0.77 | NFE2L2 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL5560121 | 0.77 | ALDH1A1 (0.47) | CYP1A2CYP2C19AKR1C3MEN1KMT2A | |
| SCHEMBL8324244 | 0.74 | CYP1A2 (0.73) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL1711226 | 0.73 | KDM4E (0.60) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1594847-A2 | SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | Transtech Pharma, Inc. (US) | 2005-11-16 | — | — | EP | disclosed |
| WO-2004071447-A2 | SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS | TRANSTECH PHARMA INC. (US) | 2004-08-26 | — | — | WO | disclosed |