Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1835267 | 0.91 | OPRM1 (0.43) | CALCRLCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL1838932 | 0.89 | TNKS (0.40) | CALCRLCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL1834480 | 0.89 | OPRM1 (0.42) | CALCRLCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL1841563 | 0.89 | OPRM1 (0.42) | CALCRLCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL1834992 | 0.87 | OPRM1 (0.46) | CYP3A4OPRM1OPRK1OPRL1BCHE | |
| SCHEMBL1836258 | 0.87 | PLD1 (0.44) | CALCRLCYP3A4OPRM1OPRK1OPRL1 | |
| SCHEMBL1831701 | 0.86 | OPRM1 (0.41) | CALCRLCYP3A4TNKSPARP1PARP2 | |
| SCHEMBL1835802 | 0.86 | OPRM1 (0.47) | CYP3A4OPRM1OPRK1OPRL1BCHE | |
| SCHEMBL1835181 | 0.85 | HPGDS (0.38) | CALCRLCYP3A4OPRM1OPRK1OPRL1 | |
| SCHEMBL1837578 | 0.85 | OPRM1 (0.38) | CALCRLCYP3A4TNKSPARP1PARP2 |
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-2160098-B9 | USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2011-05-18 | — | — | EP | claimed |
| EP-2160098-B1 | USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS | COMMISSARIAT ENERGIE ATOMIQUE (FR) | 2010-11-10 | — | — | EP | claimed |