Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL28553043 | 0.94 | CYP2A6 (0.52) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL214899 | 0.94 | — | — | |
| SCHEMBL28226740 | 0.94 | CYP2A6 (0.52) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| Hydrochloric Acid SCHEMBL28738883 | 0.92 | CYP2A6 (0.50) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL27952608 | 0.92 | CYP2A6 (0.50) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL28362581 | 0.92 | CYP2A6 (0.50) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| Ethylene Glycol SCHEMBL10480574 | 0.89 | ALDH5A1 (0.44) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL13659420 | 0.86 | ALDH1A1 (0.58) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL5415522 | 0.86 | CYP19A1 (0.61) | TYRCYP2A6HSD17B10ALDH5A1ABAT | |
| SCHEMBL21908192 | 0.86 | ALDH1A1 (0.58) | TYRCYP2A6HSD17B10ALDH5A1ABAT |
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-4977272-A | Radiation absorbers | THE STANDARD OIL COMPANY (US) | 1990-12-11 | — | — | US | disclosed |