Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 14/20 | 0.41 |
| ▸ | CNR2 | P34972 | 13/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Dodecanol SCHEMBL9297423 | 0.88 | CNR1 (0.54) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL51667 | 0.86 | SHBG (0.53) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| Butylamine SCHEMBL4456944 | 0.85 | CYP3A4 (0.43) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL2928281 | 0.84 | SHBG (0.52) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL30899191 | 0.84 | SHBG (0.52) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL11449299 | 0.84 | SHBG (0.52) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL8856126 | 0.84 | SHBG (0.52) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| SCHEMBL11468358 | 0.84 | SHBG (0.52) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| Butylamine SCHEMBL30439632 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2D6HIF1ACNR1CNR2 | |
| Butylamine SCHEMBL2957075 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2D6HIF1ACNR1CNR2 |
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-5281570-A | Heat sensitive sheets | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1994-01-25 | — | — | US | disclosed |