Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACLY | P53396 | 6/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL246297 | 0.98 | IDO1 (0.46) | ACLYIDO1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8802702 | 0.93 | IDO1 (0.47) | ACLYIDO1CYP1A2CYP3A4CYP2C9 | |
| Dimethyl Sulfoxide SCHEMBL9546895 | 0.91 | ACLY (0.40) | ACLYIDO1NAAA | |
| SCHEMBL11336119 | 0.86 | HPGD (0.40) | ACLYCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30271268 | 0.85 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL248224 | 0.85 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL9818273 | 0.83 | ACLY (0.49) | ACLYIDO1NAAA | |
| SCHEMBL9156866 | 0.82 | ACLY (0.46) | ACLYNAAA | |
| SCHEMBL9156879 | 0.82 | ACLY (0.46) | ACLYNAAA | |
| SCHEMBL9156871 | 0.82 | ACLY (0.46) | ACLYNAAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5447954-A | Antilipidemic agents | SMITHKLINE BEECHAM P.L.C. (GB) | 1995-09-05 | — | — | US | disclosed |
| EP-0639187-A1 | PHENYLDERIVATE AS INHIBITORS OF ATP CITRATE LYASE | SMITHKLINE BEECHAM PLC (GB) | 1995-02-22 | — | — | EP | disclosed |
| CN-1092418-A | Novel tetrahydrofuranone derivatives | SMITHKLINE BEECHAM PLC (GB) | 1994-09-21 | — | — | CN | disclosed |
| WO-1993022304-A1 | PHENYLDERIVATE AS INHIBITORS OF ATP CITRATE LYASE | SMITHKLINE BEECHAM PLC (GB) | 1993-11-11 | — | — | WO | disclosed |