Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 8/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23719074 | 1.00 | BACE1 (0.61) | BACE1OPRM1OPRL1MC4RKCNH2 | |
| Hydrochloric Acid SCHEMBL23699412 | 0.99 | BACE1 (0.60) | BACE1OPRM1OPRL1MC4RKCNH2 | |
| Hydrochloric Acid SCHEMBL23699247 | 0.99 | BACE1 (0.60) | BACE1OPRM1OPRL1MC4RKCNH2 | |
| Hydrochloric Acid SCHEMBL23699248 | 0.99 | BACE1 (0.60) | BACE1OPRM1OPRL1MC4RKCNH2 | |
| SCHEMBL23699413 | 0.81 | OPRL1 (0.45) | BACE1OPRM1OPRL1OPRK1 | |
| SCHEMBL23699410 | 0.81 | OPRL1 (0.45) | BACE1OPRM1OPRL1OPRK1 | |
| SCHEMBL23719073 | 0.81 | OPRL1 (0.45) | BACE1OPRM1OPRL1OPRK1 | |
| SCHEMBL3729031 | 0.76 | BACE1 (1.00) | BACE1KCNH2HRH3SIGMAR1 | |
| SCHEMBL23719075 | 0.76 | OPRL1 (0.46) | OPRM1OPRL1OPRK1 | |
| SCHEMBL23718991 | 0.76 | OPRL1 (0.46) | OPRM1OPRL1HRH3OPRK1 |
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-3858439-A1 | AMIDE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2021-08-04 | — | — | EP | disclosed |