Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrazine SCHEMBL10799085 | 0.87 | TSHR (0.60) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| Hydrogen Peroxide SCHEMBL28474133 | 0.87 | TDP1 (0.64) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| Hydrogen Peroxide SCHEMBL28425777 | 0.87 | TDP1 (0.64) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| SCHEMBL260960 | 0.87 | TDP1 (0.64) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| SCHEMBL29199324 | 0.87 | TDP1 (0.64) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL23276979 | 0.85 | TDP1 (0.62) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| Methane SCHEMBL10956850 | 0.85 | TDP1 (0.62) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| SCHEMBL30915582 | 0.85 | TDP1 (0.62) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| SCHEMBL1389524 | 0.85 | TDP1 (0.62) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 | |
| SCHEMBL6051152 | 0.85 | TDP1 (0.62) | CYP2D6CYP1A2CYP2C19TDP1ALDH1A1 |
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-2022122035-A1 | COAGULATION FACTOR XIA INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海领泰生物医药科技有限公司 | 2022-06-16 | — | — | WO | disclosed |