Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.40 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.40 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.40 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.40 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.35 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.35 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 8/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10568 | 0.93 | LPAR1 (0.44) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10274 | 0.92 | CYP2C9 (0.41) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9991 | 0.92 | LMNA (0.35) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9883 | 0.91 | CYP2C9 (0.41) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10203 | 0.91 | CYP2C9 (0.40) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10105 | 0.89 | ABCC3 (0.41) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL4079 | 0.88 | LPAR1 (0.49) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9835 | 0.87 | CYP2C9 (0.39) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9718 | 0.86 | ABCC3 (0.43) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10347 | 0.86 | ABCC3 (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 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 |