Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.36 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.36 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.36 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4734 | 0.91 | ABCC3 (0.37) | BRD4SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL4809 | 0.89 | OPRM1 (0.48) | OPRM1SLC6A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL3539 | 0.86 | ABCC3 (0.47) | OPRM1SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL6591 | 0.76 | GAA (0.42) | BRD4GAAABCC3ABCC4ABCB11 | |
| SCHEMBL4089 | 0.74 | BRD4 (0.39) | BRD4GAAABCC3ABCC4ABCB11 | |
| SCHEMBL6765 | 0.73 | BRD4 (0.33) | BRD4GAA | |
| SCHEMBL7572 | 0.73 | SLC26A6 (0.36) | BRD4GAALPAR1 | |
| SCHEMBL7246 | 0.73 | GAA (0.41) | BRD4GAAABCC3ABCC4ABCB11 | |
| SCHEMBL11897090 | 0.73 | HDAC1 (0.36) | CYP2D6CYP2C9 | |
| SCHEMBL4183 | 0.73 | GAA (0.42) | BRD4GAAABCC3ABCC4ABCB11 |
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 |