Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | FLT1 | P17948 | 1/20 | 0.35 |
| ▸ | FLT4 | P35916 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 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 | |
|---|---|---|---|---|
| SCHEMBL5032529 | 0.93 | CYP3A4 (0.43) | CYP3A4TSHRGAANPSR1ALDH1A1 | |
| SCHEMBL5035233 | 0.89 | CYP3A4 (0.38) | CYP3A4TSHRMCHR1GAANPSR1 | |
| SCHEMBL5032514 | 0.88 | CYP3A4 (0.43) | CYP3A4TSHRGAANPSR1ALDH1A1 | |
| SCHEMBL5032512 | 0.86 | CYP3A4 (0.40) | CYP3A4TSHRGAANPSR1ALDH1A1 | |
| SCHEMBL5038846 | 0.85 | CYP3A4 (0.39) | CYP3A4TSHRMCHR1GAANPSR1 | |
| SCHEMBL5032602 | 0.84 | CYP3A4 (0.40) | CYP3A4TSHRMCHR1GAANPSR1 | |
| SCHEMBL5035234 | 0.84 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1HPGDRAB9A | |
| SCHEMBL5034781 | 0.83 | CYP3A4 (0.42) | CYP3A4TSHRGAANPSR1ALDH1A1 | |
| SCHEMBL5035170 | 0.83 | CYP3A4 (0.36) | CYP3A4TSHRGAANPSR1ALDH1A1 | |
| SCHEMBL5032526 | 0.82 | CYP3A4 (0.49) | CYP3A4GAANPSR1ALDH1A1NPC1 |
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 |