Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28833063 | 0.77 | CYP2A6 (0.56) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28812822 | 0.76 | CYP2A6 (0.54) | CYP2A6PTGER4ALDH1A1HPGDKDM4E | |
| SCHEMBL31300670 | 0.75 | HSD17B10 (0.62) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL28088871 | 0.70 | ALDH1A1 (0.49) | CYP2A6ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL22031786 | 0.69 | MAPT (0.50) | CYP2A6ALDH1A1HPGDKDM4EHSD17B10 | |
| SCHEMBL31711447 | 0.69 | CYP2A6 (0.53) | CYP2A6PTGER4ALDH1A1HPGDKDM4E | |
| SCHEMBL2713434 | 0.69 | CYP2A6 (0.53) | CYP2A6PTGER4ALDH1A1HPGDKDM4E | |
| SCHEMBL29569100 | 0.68 | CYP2A6 (1.00) | CYP2A6PTGER4 | |
| SCHEMBL1125942 | 0.68 | CYP2A6 (1.00) | CYP2A6PTGER4 | |
| SCHEMBL27694001 | 0.66 | CYP2A6 (0.52) | CYP2A6CYP2A13ALDH1A1HPGDKDM4E |
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-105859639-A | NOVEL ANTI-INFLAMMATORY AGENTS | 雷斯韦洛吉克斯公司 | 2016-08-17 | — | — | CN | disclosed |