Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5038792 | 0.94 | CYP3A4 (0.47) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5032607 | 0.93 | CYP3A4 (0.48) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5032684 | 0.92 | CYP3A4 (0.52) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5038846 | 0.90 | CYP3A4 (0.39) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5035958 | 0.86 | CYP3A4 (0.43) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5032495 | 0.85 | CYP3A4 (0.51) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5039043 | 0.84 | CYP3A4 (0.46) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL14190174 | 0.83 | CYP3A4 (0.48) | CYP3A4CNR1CNR2GABRA2GABRB2 | |
| SCHEMBL5035943 | 0.82 | CYP3A4 (0.47) | CYP3A4CNR1CNR2ALDH1A1RAB9A | |
| SCHEMBL5032545 | 0.82 | CYP3A4 (0.44) | CYP3A4CNR1CNR2ALDH1A1CRHR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-B1 | THIAZOLE DERIVATES | HOFFMANN LA ROCHE (CH) | 2008-01-16 | — | — | EP | disclosed |