Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.43 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.43 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.43 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.43 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.43 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.43 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | AKT2 | P31751 | 2/20 | 0.36 |
| ▸ | FYN | P06241 | 2/20 | 0.35 |
| ▸ | BRAF | P15056 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9590 | 0.94 | LPAR1 (0.46) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL5133 | 0.89 | LPAR1 (0.53) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10072 | 0.88 | LPAR1 (0.48) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10589 | 0.86 | ABCC3 (0.43) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10271 | 0.86 | CYP2C9 (0.42) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10151 | 0.84 | CYP2C9 (0.45) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10143 | 0.83 | ABCC3 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10073 | 0.81 | LPAR1 (0.52) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9713 | 0.80 | CYP2C9 (0.42) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10590 | 0.80 | LPAR1 (0.45) | 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-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |