Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 2/20 | 0.37 |
| ▸ | DRD5 | P21918 | 2/20 | 0.37 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL4729 | 0.84 | HSD11B1 (0.45) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL3552 | 0.83 | DRD2 (0.44) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL5236 | 0.83 | OPRM1 (0.43) | ATML3MBTL1HSD11B1 | |
| Bicarbonate SCHEMBL18167233 | 0.82 | DRD2 (0.42) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL4086 | 0.79 | ABCC3 (0.46) | HCRTR1HCRTR2HSD11B1 | |
| SCHEMBL4483 | 0.77 | OPRM1 (0.45) | — | |
| SCHEMBL4223 | 0.77 | CYP1A2 (0.42) | DRD2DRD4DRD3HCRTR1HCRTR2 | |
| SCHEMBL11181 | 0.77 | OPRM1 (0.42) | CNR2ATML3MBTL1HSD11B1 | |
| Bicarbonate SCHEMBL18167182 | 0.76 | ACKR3 (0.44) | DRD2DRD4DRD3LMNAKMT2A | |
| SCHEMBL3630 | 0.74 | ABCC3 (0.47) | HSD11B1 |
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 |