Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 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 | |
|---|---|---|---|---|
| SCHEMBL199835 | 0.83 | CYP2C9 (0.46) | NUDT1BACE1CYP3A4CYP2D6HIF1A | |
| SCHEMBL29368513 | 0.83 | NUDT1 (0.50) | NUDT1BACE1CYP3A4CYP2D6HSP90AA1 | |
| SCHEMBL3133679 | 0.83 | CYP2D6 (0.54) | NUDT1BACE1CYP2D6HSP90AA1SMN1; SMN2 | |
| SCHEMBL68186 | 0.83 | NUDT1 (0.50) | NUDT1BACE1CYP3A4CYP2D6HSP90AA1 | |
| SCHEMBL13609954 | 0.81 | NUDT1 (0.49) | NUDT1BACE1CYP3A4CYP2D6HSP90AA1 | |
| Methane SCHEMBL27697714 | 0.81 | CYP2D6 (0.52) | NUDT1BACE1CYP2D6HSP90AA1SMN1; SMN2 | |
| SCHEMBL29623103 | 0.81 | NUDT1 (0.49) | NUDT1BACE1CYP3A4CYP2D6HSP90AA1 | |
| SCHEMBL11308536 | 0.81 | ALDH1A1 (0.52) | NUDT1BACE1CYP2D6HSP90AA1SMN1; SMN2 | |
| SCHEMBL7735526 | 0.81 | CNR1 (0.64) | CYP3A4TP53MAPK1CYP1A2ALDH1A1 | |
| SCHEMBL4060197 | 0.81 | NUDT1 (0.49) | NUDT1BACE1CYP2D6HSP90AA1ESR1 |
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-6403652-B1 | A METHOD FOR INHIBITING METHICILLIN DRUG RESISTANT BACTERIA USING A PHENOLIC COMPOUND. | COLGATE-PALMOLIVE COMPANY | 2002-06-11 | — | — | US | disclosed |