Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL24064991 | 1.00 | CYP3A4 (0.38) | CYP3A4CYP2D6MGLLFKBP1ACHRNB2 | |
| SCHEMBL24117999 | 0.95 | CYP3A4 (0.35) | CYP3A4CYP2D6MGLL | |
| SCHEMBL30439285 | 0.81 | PARP1 (0.39) | MGLLFKBP1A | |
| SCHEMBL14003261 | 0.81 | MGLL (0.30) | MGLL | |
| SCHEMBL21100022 | 0.77 | CNR2 (0.35) | — | |
| SCHEMBL18532509 | 0.77 | PARP1 (0.43) | — | |
| SCHEMBL9893215 | 0.76 | HSD17B10 (0.50) | — | |
| SCHEMBL4959104 | 0.76 | HSD17B10 (0.50) | — | |
| SCHEMBL357242 | 0.76 | HSD17B10 (0.50) | — | |
| SCHEMBL22342473 | 0.75 | ALDH1A1 (0.36) | — |
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-2292630-B1 | O2-substituted 1- (2-carboxylato)pyrrolidin-1-yl diazen-1-ium-1,2-diolates | US GOVERNMENT (US) | 2015-11-25 | — | — | EP | disclosed |