Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 19/20 | 0.65 |
| ▸ | PPARA | Q07869 | 8/20 | 0.65 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9979558 | 0.86 | PPARD (0.53) | PPARDPPARAFFAR1 | |
| SCHEMBL14137078 | 0.84 | ITGB3 (0.56) | PPARDPPARA | |
| SCHEMBL820621 | 0.81 | PPARD (0.80) | PPARDPPARA | |
| SCHEMBL2995086 | 0.81 | PPARD (0.80) | PPARDPPARA | |
| SCHEMBL20235187 | 0.81 | PPARD (0.67) | PPARDPPARAFFAR1 | |
| SCHEMBL821101 | 0.81 | PPARD (0.80) | PPARDPPARA | |
| SCHEMBL3954189 | 0.81 | PPARD (0.49) | PPARDPPARAFFAR1 | |
| SCHEMBL4760401 | 0.79 | PPARD (0.46) | PPARDPPARAFFAR1 | |
| SCHEMBL6220392 | 0.79 | PPARD (0.88) | PPARDPPARAFFAR1 | |
| SCHEMBL12214666 | 0.79 | PPARD (0.75) | PPARDPPARAFFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |