Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | GRK6 | P43250 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18726004 | 0.91 | CYP2A6 (0.46) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL19011771 | 0.81 | CYP2A6 (0.49) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11926858 | 0.80 | CYP2A6 (0.62) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL18979229 | 0.78 | DRD2 (0.41) | CHRNA7KDM4EALDH1A1SMN1; SMN2HCRTR1 | |
| SCHEMBL18726002 | 0.73 | NOTUM (0.53) | HCRTR1HCRTR2 | |
| SCHEMBL1077009 | 0.73 | CYP2A6 (0.53) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL6399910 | 0.71 | ADRA2C (0.55) | KDM4EALDH1A1SMN1; SMN2CYP3A4 | |
| SCHEMBL18529144 | 0.70 | DHFR (0.49) | ALDH1A1SMN1; SMN2CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4069199 | 0.69 | ADRB1 (0.56) | ALDH1A1MGLL | |
| SCHEMBL1788007 | 0.69 | CYP2A6 (0.53) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | claimed |
| EP-2632255-B1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME (US) | 2017-06-21 | — | — | EP | disclosed |