Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.45 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL154221 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL29485684 | 0.92 | CYP2A6 (1.00) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| Benzene SCHEMBL27861653 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL22909955 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL29002798 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL1120140 | 0.90 | CYP2A6 (0.94) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| Boric Acid SCHEMBL28958225 | 0.88 | CYP2A6 (0.81) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| Formaldehyde SCHEMBL28823619 | 0.85 | CYP2A6 (0.85) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL17849081 | 0.84 | CYP2A6 (0.84) | CYP2A6ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL1304424 | 0.84 | CYP2A6 (0.84) | CYP2A6ALDH1A1KDM4EMEN1MAPT |
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-110087687-A | Compound, composition and application thereof | 赛诺维信制药公司 | 2019-08-02 | — | — | CN | disclosed |