Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27601812 | 0.97 | ALDH1A1 (0.53) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| O-Xylene SCHEMBL28152432 | 0.94 | ALDH1A1 (0.49) | ALDH1A1CYP2A6CYP1A2HSD17B10HPGD | |
| Ethane SCHEMBL27403615 | 0.90 | HPRT1 (0.50) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| Chrysene SCHEMBL27616409 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| Phenanthrene SCHEMBL27372954 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| SCHEMBL2089665 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| SCHEMBL27740850 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| SCHEMBL30928215 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| SCHEMBL21176632 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK | |
| SCHEMBL28077721 | 0.90 | HPRT1 (0.54) | ALDH1A1CYP2A6CYP1A2HSD17B10LCK |
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-102164849-B | Heterogeneous hydrogen-catalyst reactor | 辉光能源公司 | 2016-11-09 | — | — | CN | disclosed |