Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4753847 | 1.00 | CA2 (0.45) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL1735728 | 0.85 | NAAA (0.56) | CA2MAPK1HTR2CHCAR2NAAA | |
| SCHEMBL4755497 | 0.83 | MGAM (0.46) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL1823767 | 0.83 | MGAM (0.46) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL27657744 | 0.82 | MAPK1 (0.40) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL30746787 | 0.81 | CA2 (0.52) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL10066601 | 0.80 | GRIK1 (0.50) | CA2MAPK1SLC1A2SLC1A1NAAA | |
| SCHEMBL1415948 | 0.78 | TDP1 (0.50) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL16541386 | 0.78 | HCAR2 (0.39) | CHRM1AKR1A1CHRM3HTR2AHTR2C | |
| SCHEMBL4548423 | 0.78 | HCAR2 (0.39) | HCAR2ALDH1A1LMNANAAADGKA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1912936-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | Pharmacia & Upjohn Company LLC (US) | 2008-04-23 | — | — | EP | disclosed |
| WO-2007010387-A2 | STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2007-01-25 | — | — | WO | disclosed |