Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 5/20 | 0.50 |
| ▸ | NOS1 | P29475 | 1/20 | 0.49 |
| ▸ | NOS2 | P35228 | 1/20 | 0.49 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.49 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.49 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.49 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | MAPK7 | Q13164 | 1/20 | 0.47 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.47 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.46 |
| ▸ | GPR183 | P32249 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28171808 | 0.87 | EPHX2 (0.54) | EPHX2ALDH1A1KDM1ANOS1NOS2 | |
| SCHEMBL10215017 | 0.84 | KDM1A (0.66) | EPHX2ALDH1A1KDM1APDK1PDK2 | |
| SCHEMBL12526760 | 0.83 | EPHX2 (0.53) | EPHX2ALDH1A1KDM1ANOS1NOS2 | |
| Hydrochloric Acid SCHEMBL4616380 | 0.82 | KDM1A (0.65) | EPHX2ALDH1A1KDM1APDK1PDK2 | |
| SCHEMBL13503971 | 0.81 | GRM5 (0.69) | EPHX2ALDH1A1KDM1ANOS1NOS2 | |
| SCHEMBL1810989 | 0.79 | EPHX2 (0.59) | EPHX2CYP3A4KCNH2PRKAA2 | |
| SCHEMBL1376624 | 0.79 | PDK1 (0.59) | EPHX2ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL5391493 | 0.78 | KDM1A (0.67) | KDM1A | |
| SCHEMBL31387924 | 0.78 | HPGD (0.68) | EPHX2ALDH1A1PDK1PDK2PDK3 | |
| SCHEMBL31387922 | 0.78 | HPGD (0.68) | EPHX2ALDH1A1PDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |