Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.44 |
| ▸ | SLC6A9 | P48067 | 5/20 | 0.43 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.38 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10712466 | 0.87 | HPGD (0.54) | AGBL2APEX1CYP2C9HPGDCYP2C19 | |
| SCHEMBL11014067 | 0.86 | AGBL2 (0.52) | AGBL2APEX1CYP2C9HPGDCYP2C19 | |
| SCHEMBL11759778 | 0.84 | SLC6A9 (0.48) | AGBL2SLC6A9CYP2C9HPGDCYP2C19 | |
| SCHEMBL10974662 | 0.84 | CYP2C9 (0.51) | APEX1CYP2C9HPGDCYP2C19CYP1A2 | |
| SCHEMBL10714859 | 0.81 | MAPK14 (0.43) | SLC6A9CYP2C9HPGDCYP1A2HSD17B10 | |
| SCHEMBL11756825 | 0.77 | AGBL2 (0.55) | AGBL2SLC6A9CYP2C9HPGDCYP2C19 | |
| SCHEMBL11033509 | 0.75 | TSHR (0.51) | SLC6A9CYP2C9HPGDCYP1A2HSD17B10 | |
| SCHEMBL10503467 | 0.75 | ALDH1A1 (0.54) | AGBL2APEX1CYP2C9HPGDCYP2C19 | |
| SCHEMBL11442734 | 0.73 | AKR1B1 (0.53) | AGBL2SLC6A9CYP2C9HPGDCYP2C19 | |
| SCHEMBL11709416 | 0.73 | AGBL2 (0.71) | AGBL2SLC6A9CYP2C9HPGDCYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161932-B1 | PREPARATION OF CARBOXYPHENYLTHIOPHENYLACETIC ACIDS | MERCK & CO. INC. (US) | 1988-04-13 | — | — | EP | disclosed |
| US-4697037-A | DEPROTEINATION, CARBOXYLATION | MERCK & CO., INC. (US) | 1987-09-29 | — | — | US | disclosed |
| EP-0161932-A2 | Preparation of carboxyphenylthiophenylacetic acids | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |
| EP-0052912-B1 | 7-FLUORO-DIBENZO(B,F)THIEPIN DERIVATIVES, THEIR PREPARATION AND RESOLUTION, AND COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1985-02-06 | — | — | EP | disclosed |
| EP-0052912-A1 | 7-Fluoro-dibenzo(b,f)thiepin derivatives, their preparation and resolution, and compositions containing them | MERCK & CO. INC. (US) | 1982-06-02 | — | — | EP | disclosed |