Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2844323 | 0.89 | HRH2 (0.32) | KDM4EHDAC1HDAC8 | |
| SCHEMBL4748761 | 0.82 | MAOA (0.32) | OPRM1 | |
| SCHEMBL2844016 | 0.82 | MTNR1A (0.38) | — | |
| Hydrochloric Acid SCHEMBL4521946 | 0.81 | MAOA (0.31) | OPRM1KDM4E | |
| SCHEMBL6969207 | 0.80 | SIRT2 (0.39) | OPRM1HDAC1HDAC8 | |
| SCHEMBL4514757 | 0.80 | OPRK1 (0.32) | OPRM1 | |
| Hydrochloric Acid SCHEMBL4504167 | 0.79 | OPRK1 (0.32) | OPRM1 | |
| SCHEMBL6961084 | 0.79 | PRCP (0.39) | KDM4E | |
| SCHEMBL6960867 | 0.78 | PARP1 (0.36) | PARP1KDM4E | |
| SCHEMBL6966047 | 0.78 | ESR1 (0.37) | PARP1HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1951675-B1 | TETRAHYDROISOQUINOLINE AS LXR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2013-03-20 | — | — | EP | disclosed |