Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | METAP1 | P53582 | 3/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.34 |
| ▸ | CMA1 | P23946 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | TYMS | P04818 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28511167 | 0.87 | METAP1 (0.52) | ACHEHTR2AHTR2CHTR2BMETAP1 | |
| SCHEMBL28512273 | 0.80 | ACHE (0.40) | ACHEMETAP1PARP1PARP10S100A4 | |
| SCHEMBL28525188 | 0.80 | ACHE (0.63) | ACHEMETAP1PARP1PARP10TYMS | |
| SCHEMBL30666550 | 0.77 | ACHE (0.66) | ACHEHTR2AHTR2CHTR2BMETAP1 | |
| SCHEMBL30022661 | 0.75 | ACHE (0.58) | ACHEMETAP1 | |
| SCHEMBL4221590 | 0.75 | ACHE (0.58) | ACHEMETAP1 | |
| SCHEMBL1855652 | 0.75 | ACHE (0.58) | ACHEMETAP1 | |
| SCHEMBL7625668 | 0.75 | S100A4 (0.44) | ACHEHTR2AHTR2CHTR2BMETAP1 | |
| SCHEMBL7847032 | 0.74 | METAP1 (0.43) | ACHEHTR2AHTR2CHTR2BMETAP1 | |
| SCHEMBL8317502 | 0.74 | AADAT (0.51) | ACHEHTR2AHTR2CHTR2BMETAP1 |
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-110204468-B | Asymmetric synthesis method of chiral alpha-thiocyano cyclic ketonic acid ester compound | 浙江工业大学 | 2021-02-02 | — | — | CN | disclosed |