Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | FABP7 | O15540 | 1/20 | 0.39 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | RARG | P13631 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL9032096 | 0.88 | MEN1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL9032528 | 0.87 | FABP7 (0.41) | ALDH1A1FABP7FABP5SMN1; SMN2 | |
| SCHEMBL9032858 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HPGDTSHRFABP7FABP5 | |
| SCHEMBL9032002 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL9031995 | 0.78 | ALDH1A1 (0.40) | ALDH1A1HPGDTSHRNPC1RAB9A | |
| SCHEMBL9031900 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9031895 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9032468 | 0.74 | PAM (0.38) | — | |
| SCHEMBL9032490 | 0.74 | PAM (0.38) | — | |
| SCHEMBL9032393 | 0.74 | ACE (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0558287-B1 | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO LTD (JP) | 1996-12-04 | — | — | EP | disclosed |
| US-5292767-A | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| EP-0558287-A1 | Tetrahydrothiophene derivatives | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 1993-09-01 | — | — | EP | disclosed |