Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA7 | P43166 | 6/20 | 0.47 |
| ▸ | CA9 | Q16790 | 6/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29344902 | 0.85 | PRSS1 (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL190407 | 0.78 | CA12 (0.77) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21155576 | 0.77 | HSD17B2 (0.67) | PDE4APDE4BPDE4CPDE4DHSD17B2 | |
| SCHEMBL13176964 | 0.76 | ESR1 (0.59) | CA1CA2CA12CA7CA9 | |
| SCHEMBL13500364 | 0.76 | CA1 (0.36) | CA1CA2CA12CA7CA9 | |
| SCHEMBL18703780 | 0.75 | KDM4E (0.48) | CA1CA2CA12CA7CA9 | |
| SCHEMBL13654902 | 0.74 | TSHR (0.39) | CA1CA2CA12CA7CA9 | |
| SCHEMBL685679 | 0.74 | TSHR (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL2630547 | 0.74 | GAA (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL482663 | 0.73 | ALDH1A1 (0.44) | CASP1ALDH1A1SMN1; SMN2TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1142863-B1 | Polymerisable liquid crystals | BASF AG (DE) | 2007-08-01 | — | — | EP | disclosed |