Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032626 | 0.94 | CYP3A4 (0.47) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL14190174 | 0.93 | CYP3A4 (0.48) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL5035876 | 0.93 | CYP3A4 (0.50) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL5035304 | 0.93 | CYP3A4 (0.54) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL14190164 | 0.91 | CYP3A4 (0.45) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL5032555 | 0.90 | ALDH1A1 (0.44) | CYP3A4ALDH1A1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL5041208 | 0.89 | CYP3A4 (0.41) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL5032541 | 0.89 | CYP3A4 (0.52) | CYP3A4GABRA2GABRB2ALDH1A1MAPT | |
| SCHEMBL5034751 | 0.87 | CYP3A4 (0.47) | CYP3A4GABRA2GABRB2ALDH1A1L3MBTL1 | |
| SCHEMBL5034860 | 0.87 | CYP3A4 (0.47) | CYP3A4ALDH1A1MAPTSMN1; SMN2RAB9A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2007513193-A | — | — | 2007-05-24 | — | — | JP | claimed |
| EP-1694673-A1 | NOVEL THIAZOLE DERIVATES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-30 | — | — | EP | claimed |
| WO-2005058887-A1 | NOVEL THIAZOLE DERIVATES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | claimed |
| US-7371751-B2 | Thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-05-13 | — | — | US | disclosed |
| US-7371751-B2 | Thiazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2008-05-13 | — | — | US | disclosed |
| EP-1694673-A1 | NOVEL THIAZOLE DERIVATES | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058887-A1 | NOVEL THIAZOLE DERIVATES | F. HOFFMANN-LA ROCHE AG (CH) | 2005-06-30 | — | — | WO | disclosed |