Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 1.00 |
| ▸ | CYP2C19 | P33261 | 1/20 | 1.00 |
| ▸ | INPP5D | Q92835 | 2/20 | 0.98 |
| ▸ | CDC25A | P30304 | 4/20 | 0.65 |
| ▸ | BCHE | P06276 | 1/20 | 0.64 |
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | POLA1 | P09884 | 1/20 | 0.64 |
| ▸ | OSBP | P22059 | 1/20 | 0.59 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.57 |
| ▸ | ST6GAL1 | P15907 | 1/20 | 0.57 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | CASP7 | P55210 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.54 |
| ▸ | BLM | P54132 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8021037 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL20004917 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL18541453 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL21946613 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL23016826 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL1163573 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL22712829 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL24104271 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL21589991 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE | |
| SCHEMBL14160673 | 1.00 | CYP2D6 (1.00) | CYP2D6CYP2C19INPP5DCDC25ABCHE |
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-2625190-B1 | DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION | UNIV JUSTUS LIEBIG GIESSEN (DE) | 2021-07-14 | — | — | EP | disclosed |