Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.43 |
| ▸ | LDLR | P01130 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29744546 | 1.00 | KCNH2 (0.45) | KCNH2MEN1KMT2AHDAC8LDLR | |
| SCHEMBL19972738 | 1.00 | KCNH2 (0.45) | KCNH2MEN1KMT2AHDAC8LDLR | |
| SCHEMBL19972733 | 0.81 | KCNH2 (0.48) | KCNH2MEN1KMT2AHDAC8OPRM1 | |
| SCHEMBL29744609 | 0.81 | KCNH2 (0.48) | KCNH2MEN1KMT2AHDAC8OPRM1 | |
| SCHEMBL29744500 | 0.79 | MEN1 (0.67) | KCNH2MEN1KMT2AHDAC8OPRM1 | |
| SCHEMBL19972734 | 0.79 | MEN1 (0.67) | KCNH2MEN1KMT2AHDAC8OPRM1 | |
| SCHEMBL21294359 | 0.78 | KCNH2 (0.60) | KCNH2MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL19981960 | 0.78 | KCNH2 (0.60) | KCNH2MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL21294360 | 0.78 | KCNH2 (0.49) | KCNH2MEN1KMT2AOPRM1OPRD1 | |
| SCHEMBL21294402 | 0.78 | KCNH2 (0.60) | KCNH2MEN1KMT2AOPRM1OPRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053222-A1 | TETRAHYDROISOQUINOLINE KAPPA OPIOID ANTAGONISTS | RESEARCH TRAINGLE INSTITUTE (US) | 2018-03-22 | — | — | WO | disclosed |