Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G1B | P04054 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| SCHEMBL19981825 | 0.86 | PLA2G1B (0.34) | PLA2G1BPLA2G2A | |
| SCHEMBL5435145 | 0.81 | OPRM1 (0.44) | PLA2G1BPLA2G2AOPRM1MAPTKDM4E | |
| SCHEMBL8736024 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL5669601 | 0.76 | OPRM1 (0.44) | PLA2G1BPLA2G2AOPRM1MAPTKDM4E | |
| SCHEMBL19981635 | 0.75 | PLA2G1B (0.41) | PLA2G1BPLA2G2A | |
| SCHEMBL16209737 | 0.75 | PLA2G1B (0.41) | PLA2G1BPLA2G2A | |
| SCHEMBL14992952 | 0.75 | PLA2G1B (0.41) | PLA2G1BPLA2G2A | |
| SCHEMBL9407489 | 0.75 | KDM4E (0.37) | PLA2G1BPLA2G2AMAPTKDM4EMAPK1 | |
| SCHEMBL1099979 | 0.75 | MAPK1 (0.39) | PLA2G1BPLA2G2AMAPTKDM4EMAPK1 | |
| SCHEMBL3650249 | 0.74 | PLA2G1B (0.42) | PLA2G1BPLA2G2AOPRM1MAPTKDM4E |
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-3512832-B1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RES TRIANGLE INST (US) | 2021-05-19 | — | — | EP | disclosed |
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |