Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.39 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.39 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.39 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6533 | 1.00 | CYP2C9 (0.39) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL6961 | 0.90 | OPRM1 (0.37) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL1593 | 0.87 | LPAR1 (0.51) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7164 | 0.87 | LPAR1 (0.51) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7280 | 0.87 | LPAR1 (0.51) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL11053 | 0.80 | CYP2C9 (0.37) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7462 | 0.80 | CYP2C9 (0.37) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7463 | 0.80 | CYP2C9 (0.37) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL1642 | 0.80 | OPRM1 (0.44) | CYP2C9ABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL7540 | 0.79 | LPAR1 (0.43) | 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-2483252-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041694-A2 | COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |