Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 14/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 10/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10914807 | 0.81 | ACHE (0.39) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL10678285 | 0.79 | PRMT6 (0.57) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL8008762 | 0.78 | CYP2A6 (0.43) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| Hydrochloric Acid SCHEMBL10741704 | 0.77 | PRMT6 (0.55) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL13185588 | 0.71 | CYP2A6 (0.44) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL9630173 | 0.70 | ACHE (0.79) | ACHEBCHEPRMT6 | |
| SCHEMBL8015366 | 0.70 | CYP2A6 (0.43) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL7277336 | 0.70 | CYP2A6 (0.43) | ACHECYP2A6CYP2D6CYP2C19BCHE | |
| SCHEMBL11471889 | 0.69 | ACHE (0.43) | ACHECYP2C19BCHE | |
| Hydrochloric Acid SCHEMBL10741023 | 0.68 | CYP2A6 (0.42) | ACHECYP2A6CYP2D6CYP2C19PARP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0041359-B1 | PROCESS FOR THE PREPARATION OF HETEROCYCLYLALKYL GUANIDINES; INTERMEDIATES AND THEIR PREPARATION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-11-14 | — | — | EP | disclosed |
| US-4443375-A | Tetrahydroimidazo(3,4-c)-1,3-diazocine intermediates for production of guanidines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-04-17 | — | — | US | disclosed |
| US-4375435-A | 3-,4-Dihydroimidazo (3,4-c)-1,3-pyrimidines and 4,5-dihydroimidazo (3,4-c)-1,3-diazepines | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1983-03-01 | — | — | US | disclosed |
| EP-0041359-A1 | Process for the preparation of heterocyclylalkyl guanidines; intermediates and their preparation | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1981-12-09 | — | — | EP | disclosed |