Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC3 | O15438 | 1/20 | 0.40 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 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 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565 | 0.94 | ABCC3 (0.47) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9878 | 0.93 | OPRM1 (0.38) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9957 | 0.92 | LPAR1 (0.48) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9784 | 0.88 | ABCC3 (0.42) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10053 | 0.88 | KCNA3 (0.39) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9937 | 0.87 | LPAR1 (0.37) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL9882 | 0.87 | ABCC3 (0.37) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10136 | 0.85 | AKT1 (0.42) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10100 | 0.85 | ABCC3 (0.40) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL3619 | 0.84 | LPAR1 (0.56) | 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 |