Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17285973 | 0.85 | CHRM2 (0.40) | CHRM2CHRM3 | |
| SCHEMBL749347 | 0.80 | HTR2C (0.36) | — | |
| Hydrochloric Acid SCHEMBL18322272 | 0.78 | HTR2C (0.36) | — | |
| SCHEMBL1583081 | 0.77 | NOS3 (0.39) | — | |
| SCHEMBL1161615 | 0.77 | NOS3 (0.39) | — | |
| SCHEMBL994132 | 0.76 | CCNC (0.33) | CHRM2 | |
| Hydrochloric Acid SCHEMBL1583544 | 0.75 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1583243 | 0.75 | NOS3 (0.38) | — | |
| Bromide SCHEMBL28435023 | 0.75 | NOS3 (0.38) | — | |
| SCHEMBL1583741 | 0.75 | POLB (0.39) | OPRL1 |
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-2022111526-A1 | BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF | 四川海思科制药有限公司 | 2022-06-02 | — | — | WO | disclosed |