Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7608112 | 0.85 | TDP1 (0.48) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL8664301 | 0.83 | ALDH1A1 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Acrylamide SCHEMBL998819 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL26705 | 0.82 | — | — | |
| SCHEMBL19457855 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Ammonia Solution, Strong SCHEMBL1036558 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL3468962 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Fluoride SCHEMBL21409814 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL30868898 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL29176180 | 0.80 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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-103890579-B | Tagged polymers, water treatment composition and the using method in aqueous system thereof | BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) | 2016-05-11 | — | — | CN | disclosed |