Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.70 |
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28196857 | 0.87 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL27565944 | 0.87 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL28196853 | 0.87 | CA4 (0.74) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL3631329 | 0.86 | CA4 (0.64) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL23856067 | 0.85 | CA4 (0.70) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL29255954 | 0.85 | CA4 (0.70) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL29215141 | 0.85 | CA4 (0.70) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL28104145 | 0.85 | CA4 (0.70) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL8472521 | 0.84 | CA4 (1.00) | CA4LTA4HTRPA1ALDH1A1CYP2A6 | |
| Anisole SCHEMBL30601749 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106414402-A | Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof | 宇部兴产株式会社 | 2017-02-15 | — | — | CN | disclosed |