Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | CTSD | P07339 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | CFTR | P13569 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28546549 | 0.75 | CA2 (0.61) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11041312 | 0.75 | PKM (0.54) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6986357 | 0.74 | ALDH1A1 (0.61) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6986217 | 0.73 | ALDH1A1 (0.60) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL11041311 | 0.72 | CYP1A2 (0.51) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL29118389 | 0.70 | HTT (0.50) | ALDH1A1CYP2C19MAPTPKMGAA | |
| SCHEMBL17205675 | 0.69 | TRPV1 (0.84) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL6985211 | 0.69 | CALM1 (0.59) | ATMALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3693996 | 0.68 | ALOX15 (0.63) | ATMALDH1A1MAPTPKMGAA | |
| SCHEMBL4598867 | 0.68 | LDHA (0.64) | ATMALDH1A1KDM4EPOLBHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0040955-B1 | 3,4-DIHYDROXYPHENYLTETRAHYDROTHIENOPYRIDINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0040955-A2 | 3,4-Dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE BECKMAN CORPORATION (US) | 1981-12-02 | — | — | EP | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |
| US-4282227-A | Renal vasodilating 3,4-dihydroxyphenyltetrahydrothienopyridines | SMITHKLINE CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |