Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13759874 | 0.77 | ALDH1A1 (0.37) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL20547211 | 0.77 | CES2 (0.36) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL16621609 | 0.68 | ALDH1A1 (0.34) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL2933069 | 0.68 | CES2 (0.34) | CES2CES1 | |
| SCHEMBL14415984 | 0.68 | CES2 (0.34) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL10022930 | 0.67 | CES2 (0.36) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL24917699 | 0.67 | — | — | |
| SCHEMBL15903198 | 0.66 | CETP (0.31) | ALDH1A1LMNA | |
| SCHEMBL19134548 | 0.65 | CES2 (0.31) | CES2CES1ALDH1A1LMNAGSK3B | |
| SCHEMBL16744594 | 0.64 | PTGS2 (0.33) | ALDH1A1 |
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 |