Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.50 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469501 | 0.89 | CYP1A2 (0.54) | CYP1A2GRIK1GRIK2HDAC3ADAM17 | |
| SCHEMBL28849820 | 0.83 | NOS3 (0.52) | CYP1A2GRIK1GRIK2HDAC3ADAM17 | |
| SCHEMBL28469492 | 0.81 | HSD11B1 (0.48) | CYP1A2GRIK1GRIK2PTGS1MAOB | |
| SCHEMBL6080800 | 0.80 | CYP1A2 (0.45) | CYP1A2GRIK1GRIK2HDAC3ADAM17 | |
| SCHEMBL6080803 | 0.80 | CYP1A2 (0.45) | CYP1A2GRIK1GRIK2HDAC3ADAM17 | |
| SCHEMBL3324115 | 0.79 | IDO1 (0.57) | CYP1A2HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL293068 | 0.79 | IDO1 (0.57) | CYP1A2HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL28469057 | 0.78 | RAB9A (0.47) | GRIK1GRIK2PPARACYP1B1MAOB | |
| SCHEMBL28476052 | 0.78 | CYP1A2 (0.48) | CYP1A2GRIK1GRIK2HDAC3HDAC1 | |
| SCHEMBL28462213 | 0.78 | GRIK1 (0.48) | CYP1A2GRIK1GRIK2CYP1B1MAOB |
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-106316813-B | 3-substituted 3-vinyl-2-hydroxy-1-aryl acetone and synthesis method thereof | 上海交通大学 | 2020-09-15 | — | — | CN | disclosed |