Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL2874247 | 0.79 | CHRNB2 (0.38) | CHRNB2CHRNA4HTR2CCYP1A2CYP2A6 | |
| SCHEMBL7922660 | 0.72 | HTR2A (0.38) | HTR2C | |
| SCHEMBL28261877 | 0.71 | ACHE (0.33) | CHRNB2CHRNA4CYP1A2CYP2A6ACHE | |
| SCHEMBL8289625 | 0.64 | CHRNB2 (0.41) | CHRNB2CHRNA4HTR2CACHE | |
| SCHEMBL8766062 | 0.64 | ACHE (0.35) | CHRNB2CHRNA4HTR2CCYP1A2CYP2A6 | |
| SCHEMBL29476027 | 0.64 | ACHE (0.35) | CHRNB2CHRNA4HTR2CCYP1A2CYP2A6 | |
| SCHEMBL1685524 | 0.63 | CHRNB2 (0.33) | CHRNB2CHRNA4HTR2CACHE | |
| SCHEMBL9440616 | 0.63 | CHRNB2 (0.30) | CHRNB2CHRNA4ACHE | |
| SCHEMBL6858844 | 0.63 | CHRNB2 (0.30) | CHRNB2CHRNA4ACHE | |
| SCHEMBL8036377 | 0.63 | CHRNB2 (0.30) | CHRNB2CHRNA4ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-105873911-B | Thiazolium compounds and its Pesticidal purposes | 住友化学株式会社 | 2018-07-24 | — | — | CN | disclosed |