Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.34 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | AKT1 | P31749 | 2/20 | 0.32 |
| ▸ | AKT2 | P31751 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4790 | 0.92 | BRD4 (0.34) | BRD4ALDH1A1ABCC3ABCC4ABCB11 | |
| SCHEMBL6641 | 0.84 | GAA (0.37) | BRD4GAAALDH1A1ABCC3ABCC4 | |
| SCHEMBL13437 | 0.79 | LPAR1 (0.44) | BRD4GAAPTPN1ALDH1A1ABCC3 | |
| SCHEMBL4090 | 0.77 | LPAR1 (0.40) | BRD4GAAPTPN1ALDH1A1ABCC3 | |
| SCHEMBL7222 | 0.76 | ABCC3 (0.34) | BRD4ALDH1A1ABCC3ABCC4ABCB11 | |
| SCHEMBL4392 | 0.75 | LPAR1 (0.42) | BRD4GAAALDH1A1ABCC3ABCC4 | |
| SCHEMBL4183 | 0.74 | GAA (0.42) | BRD4GAAALDH1A1ABCC3ABCC4 | |
| SCHEMBL6591 | 0.74 | GAA (0.42) | BRD4GAAALDH1A1ABCC3ABCC4 | |
| SCHEMBL4182 | 0.74 | BRD4 (0.38) | BRD4GAAABCC3ABCC4ABCB11 | |
| SCHEMBL6411 | 0.73 | BRD4 (0.33) | BRD4ALDH1A1ABCC3ABCC4ABCB11 |
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 |