Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.46 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | GGPS1 | O95749 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979595 | 0.91 | CYP3A4 (0.47) | LPAR3LPAR2LPAR1CYP3A4S1PR2 | |
| SCHEMBL19979596 | 0.82 | LPAR3 (0.51) | LPAR3LPAR2LPAR1 | |
| SCHEMBL19979590 | 0.81 | CYP3A4 (0.44) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL19979597 | 0.79 | CYP3A4 (0.45) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL11363600 | 0.79 | LPAR3 (0.58) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL20049675 | 0.79 | LPAR3 (0.42) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL19979609 | 0.79 | CYP3A4 (0.39) | LPAR3LPAR2LPAR1CYP3A4S1PR2 | |
| SCHEMBL19979598 | 0.78 | CYP3A4 (0.44) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL14770373 | 0.78 | LPAR3 (0.47) | LPAR3LPAR2LPAR1CYP3A4 | |
| SCHEMBL3845407 | 0.76 | CYP3A4 (0.39) | LPAR3LPAR2LPAR1CYP3A4S1PR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018053407-A1 | NOVEL AMINOBISPHOSPHONATE ANTIWEAR ADDITIVES | AFTON CHEMICAL CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |