Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | CFTR | P13569 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5039136 | 0.94 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5041385 | 0.94 | CYP3A4 (0.46) | CYP3A4CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5032567 | 0.94 | CYP3A4 (0.49) | CYP3A4CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5035010 | 0.92 | CYP3A4 (0.39) | CYP3A4ALDH1A1NPC1RAB9AHTT | |
| SCHEMBL5039367 | 0.91 | KDM4E (0.41) | CYP3A4CYP11B1ALDH1A1RAB9AKMT2A | |
| SCHEMBL5036077 | 0.91 | CYP3A4 (0.42) | CYP3A4CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5034877 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2NPC1RAB9A | |
| SCHEMBL5041330 | 0.87 | CYP3A4 (0.44) | CYP3A4CYP11B1CYP11B2ALDH1A1NPC1 | |
| SCHEMBL5035003 | 0.86 | HPGD (0.40) | CYP3A4NPC1RAB9AKMT2ACYP1A2 | |
| SCHEMBL5486463 | 0.86 | CYP3A4 (0.49) | CYP3A4ALDH1A1NPC1RAB9AGABRA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1694673-B1 | THIAZOLE DERIVATES | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | EP | claimed |