Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PPARG | P37231 | 4/20 | 0.35 |
| ▸ | PPARA | Q07869 | 4/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL446035 | 0.80 | CYP4F2 (0.44) | CA2MAPK1GPR84FFAR1SMN1; SMN2 | |
| SCHEMBL6983522 | 0.79 | CA2 (0.37) | CA2MAPK1PPARGPPARASMN1; SMN2 | |
| SCHEMBL445368 | 0.78 | PPARG (0.44) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL12179694 | 0.78 | PPARG (0.44) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL17746924 | 0.78 | ADRB2 (0.36) | CA2ALDH1A1CA1 | |
| SCHEMBL5487107 | 0.75 | ALDH1A1 (0.38) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL4398395 | 0.75 | ADRB2 (0.33) | CA2CA1 | |
| SCHEMBL445108 | 0.74 | CA2 (0.47) | CA2MAPK1CHRM1AKR1A1CHRM3 | |
| SCHEMBL351162 | 0.73 | ADRB2 (0.39) | CA2ALDH1A1CA1 | |
| SCHEMBL4391336 | 0.73 | ADRB2 (0.34) | CA2ALDH1A1CA1 |
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-0736078-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-10-09 | — | — | EP | disclosed |
| WO-1995017481-A1 | CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A PERFLUOROETHER TERMINAL PORTION | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1995-06-29 | — | — | WO | disclosed |