Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682608 | 0.86 | CYP2D6 (0.45) | CYP2D6MC4RCCR5CHRM2CHRM1 | |
| SCHEMBL9684294 | 0.76 | CYP2D6 (0.49) | CYP2D6MC4RCCR5CHRM2CHRM1 | |
| SCHEMBL9682612 | 0.75 | CYP2D6 (0.52) | CYP2D6MC4RCCR5CHRM2CHRM1 | |
| SCHEMBL9682542 | 0.74 | CYP2D6 (0.47) | CYP2D6MC4RCCR5ALDH1A1LMNA | |
| SCHEMBL9682553 | 0.74 | NFE2L2 (0.49) | CYP2D6MC4RCCR5SMN1; SMN2 | |
| SCHEMBL1122107 | 0.73 | SCN9A (0.47) | CYP2D6CHRM2CHRM1ALDH1A1LMNA | |
| SCHEMBL9682087 | 0.73 | OPRL1 (0.44) | CYP2D6MC4RALDH1A1 | |
| SCHEMBL9684280 | 0.73 | CYP2D6 (0.49) | CYP2D6MC4RCCR5CHRM2CHRM1 | |
| SCHEMBL5384209 | 0.72 | CYP2D6 (0.42) | CYP2D6CHRM2CHRM1ALDH1A1LMNA | |
| SCHEMBL9683781 | 0.72 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5130309-A | Cardiovascular disorders | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-07-14 | — | — | US | disclosed |