Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.56 |
| ▸ | CCR3 | P51677 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.51 |
| ▸ | DRD4 | P21917 | 1/20 | 0.51 |
| ▸ | DRD3 | P35462 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 2/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL19011763 | 0.91 | BCHE (0.49) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL8096431 | 0.78 | ACHE (0.66) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL15387058 | 0.78 | ACHE (0.61) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL19011578 | 0.78 | ACHE (0.61) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL5091801 | 0.78 | ACHE (0.62) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL4855546 | 0.77 | HRH3 (0.74) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL8551647 | 0.77 | SIGMAR1 (0.64) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL1232375 | 0.75 | ACHE (0.67) | ACHECCR3SIGMAR1DRD2DRD4 | |
| Hydrochloric Acid SCHEMBL8555397 | 0.75 | SIGMAR1 (0.62) | ACHECCR3SIGMAR1DRD2DRD4 | |
| SCHEMBL27833086 | 0.75 | ACHE (0.62) | ACHECCR3SIGMAR1DRD2DRD4 |
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 | disclosed |
| WO-2012058203-A1 | DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |