Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.69 |
| ▸ | HPGD | P15428 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 2/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.69 |
| ▸ | NOS2 | P35228 | 2/20 | 0.52 |
| ▸ | PGR | P06401 | 10/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351296 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL44875 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL940450 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL9420120 | 0.82 | ALDH1A1 (0.96) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL11446966 | 0.82 | ALDH1A1 (1.00) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL9370246 | 0.78 | KDM4E (0.49) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL10841338 | 0.78 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL9310831 | 0.78 | ALDH1A1 (0.63) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL11406223 | 0.76 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E | |
| SCHEMBL9468096 | 0.75 | ALDH1A1 (0.59) | ALDH1A1HSD17B10TDP1CYP3A4KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111018777-B | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2021-02-12 | — | — | CN | disclosed |
| CN-111018777-A | Preparation method of dequalinium chloride | 武汉智顿科技发展有限公司 | 2020-04-17 | — | — | CN | disclosed |