Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HRH1 | P35367 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29177158 | 0.88 | CHRM1 (0.48) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28022755 | 0.87 | CA2 (0.52) | CA2MAPK1ACE2SLC1A3SLC1A2 | |
| SCHEMBL28023392 | 0.84 | ACE2 (0.56) | ACE2GPR84 | |
| SCHEMBL28022896 | 0.84 | ACE2 (0.56) | ACE2GPR84 | |
| SCHEMBL4813785 | 0.83 | GABRR1 (0.37) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL28022910 | 0.79 | CHRM1 (0.54) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL1482996 | 0.78 | TSHR (0.44) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL31607 | 0.77 | HDAC1 (0.63) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL19115190 | 0.76 | CHRM1 (0.50) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| Calcium SCHEMBL6995406 | 0.75 | CHRM1 (0.60) | CHRM1AKR1A1CHRM3HTR2AHTR2C |
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-104755510-A | Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same | INDIAN OIL CORP LTD | 2015-07-01 | — | — | CN | claimed |
| CN-104755510-A | Ziegler-Natta catalyst systems comprising a 1,2-phenylenedioate as internal donor and process for preparing the same | INDIAN OIL CORP LTD | 2015-07-01 | — | — | CN | disclosed |