Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 2/20 | 0.40 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31360342 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL31360098 | 0.98 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL9906119 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL24017144 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL29887508 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL2067587 | 0.87 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL14119362 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL30098262 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| Hydrochloric Acid SCHEMBL19951713 | 0.85 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR | |
| SCHEMBL12101209 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19TSHR |
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-2023064493-A1 | COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES | Clear Creek Bio, Inc. (US) | 2023-04-20 | — | — | WO | disclosed |