Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 12/20 | 0.48 |
| ▸ | CTSS | P25774 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PREP | P48147 | 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 | |
|---|---|---|---|---|
| SCHEMBL9439267 | 0.96 | CTSK (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL9439387 | 0.96 | CTSK (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL19981824 | 0.91 | CTSK (0.50) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL7442727 | 0.87 | CTSK (0.47) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL19981634 | 0.85 | CTSK (0.52) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL5873389 | 0.78 | CTSK (0.51) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL17226173 | 0.77 | CTSK (0.51) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL3212854 | 0.77 | CTSK (0.53) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL3212857 | 0.77 | CTSK (0.53) | CTSKCTSSCA1CA2CA7 | |
| SCHEMBL14778518 | 0.77 | CTSK (0.53) | CTSKCTSSCA1CA2CA7 |
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 |