Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.37 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.37 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.37 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.31 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.31 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14726 | 0.81 | GAA (0.33) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL1604091 | 0.81 | GAA (0.33) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL1524 | 0.79 | ABCC3 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL1604684 | 0.79 | ABCC3 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL18597782 | 0.78 | LPAR1 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL1554 | 0.78 | LPAR1 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL1603287 | 0.78 | LPAR1 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL14705 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL1604134 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL2330 | 0.72 | OPRM1 (0.42) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 |
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 |