Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.37 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.37 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GRM7 | Q14831 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4560516 | 0.72 | KCNQ3 (0.38) | KMT2ALMNAHPGDKCNQ3KCNQ2 | |
| SCHEMBL4862021 | 0.69 | KMT2A (0.39) | MEN1KMT2ALMNAEPHX1HPGD | |
| SCHEMBL28046467 | 0.68 | ALOX5 (0.40) | KMT2ALMNAEPHX1HPGDCYP3A4 | |
| SCHEMBL4973221 | 0.67 | RECQL (0.38) | MEN1KMT2ALMNAEPHX1HPGD | |
| SCHEMBL4558507 | 0.67 | KCNQ3 (0.40) | MEN1KMT2ALMNAEPHX1HPGD | |
| SCHEMBL28318116 | 0.66 | ALOX5 (0.44) | KMT2ALMNAHPGDALOX5 | |
| SCHEMBL27932361 | 0.66 | ALOX5 (0.44) | KMT2ALMNAHPGDALOX5 | |
| SCHEMBL4558684 | 0.66 | KDM1A (0.42) | EPHX1KCNQ3KCNQ2KCNQ4KCNQ5 | |
| SCHEMBL15198495 | 0.64 | — | — | |
| SCHEMBL517632 | 0.63 | ALOX5 (0.41) | KMT2ALMNAEPHX1HPGDRECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954668-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007062308-A2 | HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |