Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | POLA1 | P09884 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.31 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9470712 | 0.82 | CYP2D6 (0.48) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL5157438 | 0.76 | CYP2D6 (0.45) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9872475 | 0.76 | CYP2D6 (0.47) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9471063 | 0.74 | CYP2D6 (0.51) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9873621 | 0.73 | IRAK4 (0.40) | IRAK4 | |
| SCHEMBL10475402 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6693743 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6693741 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8444901 | 0.71 | CYP2D6 (0.48) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15757238 | 0.71 | OPRK1 (0.56) | CYP2D6CYP2C19OPRK1SMN1; SMN2ALDH1A1 |
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-4988703-A | Viricides of hydroxyethylcyclopropylguanine | ABBOTT LABORATORIES (US) | 1991-01-29 | — | — | US | disclosed |