Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7854115 | 1.00 | — | — | |
| SCHEMBL22086828 | 0.97 | — | — | |
| SCHEMBL668280 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL4283456 | 0.95 | — | — | |
| Cyclohexane SCHEMBL10727103 | 0.92 | CHRNB2 (0.35) | CYP1A2CHRNB2CHRNA7CHRNA4CHRNB4 | |
| Cyclopropane SCHEMBL10725065 | 0.92 | CHRNB2 (0.35) | CYP1A2CHRNB2CHRNA7CHRNA4CHRNB4 | |
| SCHEMBL14343050 | 0.89 | — | — | |
| SCHEMBL16152515 | 0.89 | — | — | |
| SCHEMBL199018 | 0.89 | — | — | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL15410108 | 0.85 | NCF1 (0.34) | CYP1A2CHRNB2CHRNA7CHRNA4CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019186387-A2 | NOVEL HETEROCYCLIC SYSTEMS AND PHARMACEUTICAL APPLICATIONS THEREOF | UNIVERSITY OF SHARJAH (AE) | 2019-10-03 | — | — | WO | disclosed |