Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.44 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.42 |
| ▸ | FBP1 | P09467 | 4/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7047 | 0.87 | EGFR (0.52) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| Water SCHEMBL29120229 | 0.87 | EGFR (0.52) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| Hydrochloric Acid SCHEMBL28598774 | 0.85 | EGFR (0.50) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL9027238 | 0.83 | CYP2A6 (0.54) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL8068638 | 0.82 | ALDH1A1 (0.67) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL3189884 | 0.81 | HDAC2 (0.53) | ALDH1A1LMNAKDM4EGAAEGFR | |
| SCHEMBL5718152 | 0.81 | FBP1 (0.55) | ALDH1A1LMNAKDM4EGAAEGFR | |
| SCHEMBL5718150 | 0.81 | FBP1 (0.55) | ALDH1A1LMNAKDM4EGAAEGFR | |
| SCHEMBL3006203 | 0.81 | EGFR (0.47) | CYP2A6ALDH1A1LMNAKDM4EGAA | |
| Benzonitrile SCHEMBL28216555 | 0.79 | TSHR (0.61) | CYP2A6ALDH1A1LMNAKDM4EGAA |
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-105939996-A | Dihydropyridone and dihydropyridazinone derivatives as bromodomain inhibitors | 艾伯维公司 | 2016-09-14 | — | — | CN | disclosed |