Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | GCLC | P48506 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL398402 | 0.89 | — | — | |
| Ethyl Bromo Acetate SCHEMBL31037865 | 0.80 | ALDH1A1 (0.63) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL30906327 | 0.77 | TRPA1 (0.44) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL60732 | 0.77 | CA2 (0.46) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL11374133 | 0.77 | CA2 (0.52) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL169923 | 0.77 | CA2 (0.46) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL19857577 | 0.75 | CA2 (0.80) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL3820505 | 0.74 | CA2 (0.54) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL29236252 | 0.74 | CA2 (0.77) | CA2MAPK1SLC1A3SLC1A2SLC1A1 | |
| Ether SCHEMBL10507611 | 0.74 | CHRM1 (0.40) | CA2MAPK1SLC1A3SLC1A2SLC1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006046933-A1 | SEDATIVE AND SPASMOLYTIC MEDICINAL AGENT AND METHOD FOR THE PRODUCTION THEREOF (VARIANTS) | RYBCHUK VIKTOR OLEXANDROVYCH (UA) | 2006-05-04 | — | — | WO | disclosed |