Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 4/20 | 0.33 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.33 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL27278872 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL28214107 | 0.83 | ALDH1A1 (0.42) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL7101115 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL26705 | 0.79 | — | — | |
| SCHEMBL3468962 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL15561558 | 0.77 | — | — | |
| Lithium SCHEMBL29993996 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL2943903 | 0.77 | — | — | |
| Fluoride SCHEMBL21409814 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR | |
| SCHEMBL19457855 | 0.77 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-10975260-B2 | Monomers, polymers and coating formulations that comprise at least one N-halamine precursor, a cationic center and a coating incorporation group | UNIVERSITY OF MANITOBA (CA) | 2021-04-13 | — | — | US | disclosed |