Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL669688 | 0.97 | — | — | |
| SCHEMBL2633052 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL670105 | 0.94 | OPRM1 (0.32) | OPRM1DPP4METAP1 | |
| Water SCHEMBL29118753 | 0.94 | OPRM1 (0.32) | OPRM1DPP4METAP1 | |
| SCHEMBL3312745 | 0.80 | OPRM1 (0.42) | OPRM1 | |
| Hydrochloric Acid SCHEMBL22749308 | 0.78 | OPRM1 (0.40) | OPRM1 | |
| Hydrochloric Acid SCHEMBL22749309 | 0.78 | OPRM1 (0.40) | OPRM1 | |
| SCHEMBL1236943 | 0.78 | OPRM1 (0.52) | OPRM1 | |
| SCHEMBL10935578 | 0.77 | — | — | |
| SCHEMBL1752088 | 0.77 | — | — |
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-3710448-A1 | MACROCYCLIC CHLORINE SUBSTITUTED INDOLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2020-09-23 | — | — | EP | disclosed |