Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28106912 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL27830203 | 0.76 | KDM4E (0.32) | — | |
| SCHEMBL28023233 | 0.75 | CYP4F2 (0.32) | — | |
| SCHEMBL28023823 | 0.75 | KDM4E (0.31) | OPRM1 | |
| SCHEMBL27797665 | 0.75 | OPRM1 (0.35) | OPRM1 | |
| SCHEMBL27830224 | 0.75 | OPRM1 (0.30) | OPRM1 | |
| SCHEMBL28290792 | 0.74 | CYP2D6 (0.31) | CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL28835285 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL27857668 | 0.73 | — | — | |
| SCHEMBL28023227 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105121425-A | Therapeutic compounds and compositions | AGIOS PHARMACEUTICALS INC | 2015-12-02 | — | — | CN | disclosed |