Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 15/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 15/20 | 0.40 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.35 |
| ▸ | TAS2R8 | Q9NYW2 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966 | 0.91 | EPHX2 (0.35) | S1PR1TAS2R8S1PR3TRPV1 | |
| SCHEMBL6738 | 0.84 | AKR1C3 (0.39) | AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1 | |
| SCHEMBL1828 | 0.81 | LPAR1 (0.47) | TAS2R8 | |
| SCHEMBL2627 | 0.79 | LPAR1 (0.39) | — | |
| SCHEMBL7250 | 0.78 | PPARG (0.46) | S1PR1S1PR3 | |
| SCHEMBL6965 | 0.76 | EPHX2 (0.39) | S1PR1 | |
| SCHEMBL7133 | 0.74 | PPARG (0.38) | AKR1C3AKR1C2S1PR1TAS2R8S1PR3 | |
| SCHEMBL6581 | 0.73 | CHRM1 (0.40) | S1PR1S1PR3 | |
| SCHEMBL7481 | 0.71 | LPAR1 (0.55) | S1PR1S1PR3 | |
| SCHEMBL6889 | 0.70 | FFAR1 (0.46) | S1PR1S1PR3 |
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-2483252-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |