Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.44 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28129332 | 1.00 | ACHE (0.48) | ACHESTAT3GRIA4CHRNA7TDP1 | |
| SCHEMBL28142952 | 1.00 | ACHE (0.48) | ACHESTAT3GRIA4CHRNA7TDP1 | |
| SCHEMBL11024335 | 0.89 | ESR1 (0.41) | ACHEESR1ESR2TAAR1 | |
| SCHEMBL14658424 | 0.81 | ACHE (0.46) | ACHESTAT3GRIA4CHRNA7TDP1 | |
| SCHEMBL10456468 | 0.80 | PYCR1 (0.41) | ALDH1A1ESR1ESR2ALOX5MAOA | |
| SCHEMBL5871371 | 0.78 | AOC3 (0.38) | ACHEMAOAMAOBIDO1 | |
| SCHEMBL19361125 | 0.78 | CYP1A2 (0.36) | ACHEGSK3BESR1ESR2TAAR1 | |
| SCHEMBL583097 | 0.77 | TAAR1 (0.58) | ALDH1A1TAAR1 | |
| SCHEMBL8159872 | 0.77 | TAAR1 (0.58) | ALDH1A1TAAR1 | |
| SCHEMBL6327571 | 0.77 | ACHE (0.50) | ACHESTAT3GRIA4CHRNA7TDP1 |
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-105198692-A | Method for asymmetrically catalyzing and synthesizing (S)-curcumene | UNIV CHINA AGRICULTURAL | 2015-12-30 | — | — | CN | disclosed |