Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.45 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.45 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.45 |
| ▸ | PER2 | O15055 | 2/20 | 0.39 |
| ▸ | CRY1 | Q16526 | 2/20 | 0.39 |
| ▸ | CRY2 | Q49AN0 | 2/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | RORC | P51449 | 6/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL6468 | 0.92 | ABCC3 (0.39) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7579 | 0.86 | LPAR1 (0.46) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL6764 | 0.86 | CYP2C9 (0.45) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL1701 | 0.82 | LPAR1 (0.50) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7552 | 0.81 | CYP2C9 (0.44) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7553 | 0.81 | CYP2C9 (0.44) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL1968 | 0.80 | LPAR1 (0.50) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL2176 | 0.79 | LPAR1 (0.50) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL12210 | 0.79 | ABCC3 (0.40) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL6763 | 0.78 | TSHR (0.41) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |