Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | CETP | P11597 | 2/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.45 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.45 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.45 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL934552 | 0.83 | CHRM2 (0.51) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL5724443 | 0.81 | CHRM2 (0.52) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL30487710 | 0.81 | CHRM2 (0.52) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL934428 | 0.81 | PPARG (0.52) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL18605800 | 0.79 | PPARA (0.46) | TRPM8CHRM2CHRM1CHRM3DAO | |
| SCHEMBL18605512 | 0.78 | CHRM2 (0.47) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL27997591 | 0.78 | CHRM2 (0.55) | CHRM2CHRM1CHRM3CNR1DAO | |
| SCHEMBL6685564 | 0.78 | EPHX1 (0.52) | TRPM8CHRM2CHRM1CHRM3CNR1 | |
| SCHEMBL15818310 | 0.77 | FFAR1 (0.57) | CHRM2CHRM1CHRM3CNR1DAO | |
| SCHEMBL1271844 | 0.77 | FFAR1 (0.67) | CHRM2CHRM1CHRM3CNR1DAO |
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 |