Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.39 |
| ▸ | CTSA | P10619 | 1/20 | 0.39 |
| ▸ | ADH5 | P11766 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL10535616 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10625333 | 0.82 | CYP3A4 (0.58) | CYP3A4KMT2ABAZ2BADH5HTT | |
| SCHEMBL600477 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL30317655 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL1976009 | 0.77 | CYP3A4 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10469495 | 0.77 | CYP3A4 (0.54) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL10468098 | 0.77 | ALDH1A1 (0.44) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL5280849 | 0.74 | CYP3A4 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL8297460 | 0.74 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL17352303 | 0.74 | HTT (0.65) | CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9 |
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-4847251-A | CARDIOVASCULAR DISORDERS | BOEHRINGER MANNHEIM GMBH (DE) | 1989-07-11 | — | — | US | disclosed |