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 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10152 | 0.92 | ABCC3 (0.49) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL3638 | 0.87 | LPAR1 (0.58) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9956 | 0.85 | LPAR1 (0.43) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9713 | 0.85 | CYP2C9 (0.42) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9589 | 0.84 | ABCC3 (0.43) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10117 | 0.83 | CYP2C9 (0.43) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10143 | 0.83 | ABCC3 (0.41) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10589 | 0.83 | ABCC3 (0.43) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10072 | 0.82 | LPAR1 (0.48) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10347 | 0.80 | 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 |