Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.44 |
| ▸ | LPAR2 | Q9HBW0 | 5/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CDC25A | P30304 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20260439 | 0.88 | CYP3A4 (0.65) | CYP3A4L3MBTL1LPAR3LPAR2LPAR1 | |
| SCHEMBL6896841 | 0.87 | CYP3A4 (0.53) | CYP3A4L3MBTL1LPAR3LPAR2LPAR1 | |
| SCHEMBL17467186 | 0.85 | CYP3A4 (0.55) | CYP3A4L3MBTL1LPAR3LPAR2LPAR1 | |
| SCHEMBL3814693 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL3814014 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL1260434 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL536943 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL22844591 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL3818750 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR | |
| SCHEMBL3820824 | 0.84 | CYP3A4 (0.70) | CYP3A4LPAR3LPAR2LPAR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-9670200-B2 | Quaternary ammonium salt prodrugs | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-06-06 | — | — | US | disclosed |