Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CDK4 | P11802 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL359808 | 1.00 | CYP3A4 (0.47) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| Phenol SCHEMBL28088385 | 1.00 | CYP3A4 (0.47) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| Hydroquinone SCHEMBL3753752 | 0.94 | CYP3A4 (0.48) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL320511 | 0.94 | CYP3A4 (0.52) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| Biphenyl SCHEMBL27258263 | 0.93 | HSD17B1 (0.45) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| Resorcinol SCHEMBL1715185 | 0.92 | CYP3A4 (0.50) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| Charcoal, Activated SCHEMBL3483629 | 0.92 | CYP3A4 (0.50) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| SCHEMBL4463825 | 0.92 | CYP3A4 (0.50) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| SCHEMBL28290002 | 0.92 | CYP3A4 (0.50) | CYP3A4DRD2DRD4ADRA1DADRA1A | |
| SCHEMBL28073121 | 0.92 | CYP3A4 (0.50) | CYP3A4DRD2DRD4ADRA1DADRA1A |
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-20120064287-A1 | AEROGEL COMPOSITE AND METHOD OF MANUFACTURING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2012-03-15 | — | — | US | disclosed |