Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE9A | O76083 | 2/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 9/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 8/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 7/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 7/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16891977 | 0.83 | CHRNB2 (0.37) | OPRK1CHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16892003 | 0.83 | CHRNB2 (0.37) | OPRK1CHRNA4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL14606249 | 0.74 | SIGMAR1 (0.52) | — | |
| SCHEMBL653224 | 0.72 | FUCA1 (0.55) | OPRK1 | |
| SCHEMBL477142 | 0.72 | FUCA1 (0.55) | OPRK1 | |
| SCHEMBL29615705 | 0.71 | CHRNB2 (0.59) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL20311170 | 0.71 | PDE9A (0.38) | PDE9APDE1CADRB2 | |
| SCHEMBL18211891 | 0.71 | HRH3 (0.50) | CHRNA4CHRNB2 | |
| Hydrochloric Acid SCHEMBL2264027 | 0.70 | FUCA1 (0.53) | OPRK1 | |
| SCHEMBL21276280 | 0.70 | ALDH1A1 (0.48) | CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7 |
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-3091008-B1 | KINASE INHIBITOR AND USE THEREOF | XUANZHU PHARMA CO LTD (CN) | 2018-06-27 | — | — | EP | disclosed |