Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | GRK6 | P43250 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18979222 | 0.91 | CYP2A6 (0.44) | CYP2A6CHRNA7FAAHMGLLKDM4E | |
| SCHEMBL19011771 | 0.87 | CYP2A6 (0.49) | CYP2A6CHRNA7FAAHMGLLKDM4E | |
| SCHEMBL11926858 | 0.83 | CYP2A6 (0.62) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL1077009 | 0.75 | CYP2A6 (0.53) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL28040660 | 0.72 | KDM4E (0.58) | CYP2A6FAAHMGLLKDM4EALDH1A1 | |
| SCHEMBL18726009 | 0.72 | NOTUM (0.55) | HCRTR1HCRTR2 | |
| SCHEMBL1187043 | 0.71 | CYP2A6 (0.53) | CYP2A6CHRNA7KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9454459 | 0.71 | CYP2A6 (0.53) | CYP2A6CHRNA7MGLLKDM4EALDH1A1 | |
| SCHEMBL1788007 | 0.71 | CYP2A6 (0.53) | CYP2A6CHRNA7MGLLKDM4EALDH1A1 | |
| SCHEMBL657643 | 0.71 | 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-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | claimed |
| EP-2683687-B1 | HETEROCYCLIC DERIVATIVES CONTAINING PRIMARY AMINO GROUPS AND DIAZENIUMDIOLATES | MERCK SHARP & DOHME (US) | 2017-04-19 | — | — | EP | disclosed |