Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | CCR2 | P41597 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21634029 | 0.96 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| Ethane SCHEMBL27532033 | 0.81 | PNMT (0.38) | PNMTDPP4TAAR1 | |
| SCHEMBL945820 | 0.80 | GABRA1 (0.62) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| SCHEMBL7195622 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| SCHEMBL27979472 | 0.79 | PNMT (0.43) | PNMTDPP4TAAR1 | |
| SCHEMBL28237576 | 0.79 | ALDH1A1 (0.43) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| Water SCHEMBL28824559 | 0.78 | GABRA1 (0.60) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| SCHEMBL2771239 | 0.77 | GABRA1 (0.48) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 | |
| SCHEMBL27753429 | 0.76 | PNMT (0.40) | PNMTDPP4TAAR1 | |
| SCHEMBL27372251 | 0.76 | CYP3A4 (0.47) | ALDH1A1CYP3A4HPGDGABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1217715-A | 2-thioxotetrahydropyrimidin-4-one derivative | AMERICAN HOMA PRODUCTS CO (US) | 1999-05-26 | — | — | CN | disclosed |