Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11058272 | 1.00 | CYP2D6 (0.46) | CYP2D6CYP3A4S1PR1KMT2AMEN1 | |
| SCHEMBL11068933 | 0.96 | KMT2A (0.47) | CYP2D6CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11068927 | 0.96 | KMT2A (0.47) | CYP2D6CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11061723 | 0.93 | CYP2D6 (0.47) | CYP2D6CYP3A4S1PR1KMT2AMEN1 | |
| SCHEMBL11061725 | 0.93 | CYP2D6 (0.47) | CYP2D6CYP3A4S1PR1KMT2AMEN1 | |
| SCHEMBL9591112 | 0.91 | HRH3 (0.46) | CYP2D6CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL9591103 | 0.91 | HRH3 (0.46) | CYP2D6CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11064436 | 0.91 | NPC1 (0.48) | CYP3A4S1PR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL10715612 | 0.91 | KMT2A (0.44) | CYP2D6CYP3A4KMT2AMEN1ALDH1A1 | |
| SCHEMBL11060558 | 0.91 | ITGB3 (0.47) | CYP2D6CYP3A4S1PR1KMT2AMEN1 |
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-4439015-A | Disubstituted ethanes | HOFFMANN-LA ROCHE INC. (US) | 1984-03-27 | — | — | US | disclosed |