Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4107701 | 0.87 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9HPGDGRM1 | |
| SCHEMBL11649335 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9HPGDGRM1 | |
| SCHEMBL1752519 | 0.79 | GRM1 (0.59) | CYP1A2CYP2C19CYP2C9HPGDCYP3A4 | |
| SCHEMBL11898802 | 0.79 | HPGD (0.46) | CYP1A2CYP2C19CYP2C9HPGDCYP3A4 | |
| Toluene SCHEMBL27677806 | 0.78 | TSHR (0.46) | CYP1A2CYP2C19CYP2C9HPGDKDM4E | |
| SCHEMBL24392401 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9HPGDGRM1 | |
| SCHEMBL9423139 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9HPGDGRM1 | |
| SCHEMBL7052811 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9HPGDCYP3A4 | |
| SCHEMBL16115982 | 0.77 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9HPGDGRM1 | |
| SCHEMBL2576551 | 0.77 | ALDH1A1 (0.47) | CYP1A2CYP2C19CYP2C9HPGDCYP3A4 |
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-5616713-A | Process of preparing 2-hydroxymethyl-3,5-dimethyl-4-methoxypyridine | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 1997-04-01 | — | — | US | disclosed |