Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27809682 | 0.75 | CES2 (0.34) | CES2CES1CYP2A6 | |
| SCHEMBL20547211 | 0.75 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL2933110 | 0.68 | CES2 (0.35) | CES2CES1 | |
| Ethane SCHEMBL27574938 | 0.66 | TDP1 (0.32) | CES2CES1 | |
| SCHEMBL10022930 | 0.66 | CES2 (0.36) | CES2CES1 | |
| SCHEMBL11431 | 0.64 | CA2 (0.48) | CES2CES1CYP2A6 | |
| SCHEMBL1492701 | 0.61 | CES2 (0.42) | CES2CES1 | |
| SCHEMBL23006 | 0.61 | — | — | |
| SCHEMBL9953344 | 0.60 | DGAT1 (0.35) | CYP2A6 | |
| SCHEMBL19134548 | 0.60 | CES2 (0.31) | CES2CES1 |
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-2229373-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | Merck Frosst Canada Ltd. (CA) | 2010-09-22 | — | — | EP | disclosed |
| WO-2009070873-A1 | SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY | MERCK FROSST CANADA LTD. (CA) | 2009-06-11 | — | — | WO | disclosed |