Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 9/20 | 0.75 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.64 |
| ▸ | OPRD1 | P41143 | 9/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.64 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.64 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.64 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL19982025 | 1.00 | KCNH2 (0.75) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19981621 | 0.93 | KCNH2 (0.76) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL21294399 | 0.93 | KCNH2 (0.76) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19972752 | 0.92 | KCNH2 (0.75) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19981891 | 0.92 | KCNH2 (0.75) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19982032 | 0.92 | KCNH2 (0.75) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19972729 | 0.92 | KCNH2 (0.75) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19981802 | 0.90 | KCNH2 (0.78) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL21294380 | 0.90 | KCNH2 (0.78) | KCNH2OPRM1OPRD1OPRK1MAPK8 | |
| SCHEMBL19981861 | 0.90 | KCNH2 (0.78) | KCNH2OPRM1OPRD1OPRK1MAPK8 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109790125-B | Tetrahydroisoquinoline kappa opioid antagonists | 研究三角协会 | 2022-07-05 | — | — | CN | claimed |
| CN-109790125-B | Tetrahydroisoquinoline kappa opioid antagonists | 研究三角协会 | 2022-07-05 | — | — | CN | disclosed |
| EP-3512832-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | Research Triangle Institute, International (US) | 2019-07-24 | — | — | EP | disclosed |
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |