Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | HRH2 | P25021 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | HRH1 | P35367 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27762945 | 1.00 | CHRM2 (0.38) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL28780403 | 0.84 | CYP19A1 (0.38) | CYP2C9CNR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL27762947 | 0.84 | CYP19A1 (0.43) | MEN1KMT2ALMNA | |
| SCHEMBL10815196 | 0.82 | TRPA1 (0.33) | TSHRCNR1SMN1; SMN2GAAMAPT | |
| SCHEMBL27736569 | 0.74 | CNR1 (0.50) | CNR1MEN1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL27736571 | 0.74 | CNR1 (0.50) | CNR1MEN1KMT2ANPC1SMN1; SMN2 | |
| SCHEMBL28854086 | 0.73 | TRPA1 (0.38) | HTR2AHRH1SLC6A3L3MBTL1CNR1 | |
| SCHEMBL11019672 | 0.73 | TRPA1 (0.38) | HTR2AHRH1SLC6A3L3MBTL1CNR1 | |
| SCHEMBL31374423 | 0.71 | CHRM2 (0.69) | CHRM2CHRM5CHRM1ADRA2BSLC6A2 | |
| SCHEMBL10146248 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101585795-B | Reaction method of catalyzing asymmetric alkyl by an (S) type thioic imidazolone compound | JIANG University OF TECHNOLOGY (CN) | 2011-12-21 | — | — | CN | disclosed |
| CN-101585795-A | Reaction method of catalyzing asymmetric alkyl by an (S) type thioic imidazolone compound | UNIV ZHEJIANG TECHNOLOGY (CN) | 2009-11-25 | — | — | CN | disclosed |