Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | APAF1 | O14727 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220403 | 0.91 | ENPP2 (0.52) | ALDH1A1HSD17B10CYP3A4LMNAMEN1 | |
| Phenol SCHEMBL7656573 | 0.86 | TP53 (0.62) | ALDH1A1HSD17B10CYP3A4CA12CA2 | |
| SCHEMBL28713 | 0.85 | — | — | |
| SCHEMBL28148524 | 0.85 | ALDH1A1 (0.64) | ALDH1A1HSD17B10CYP3A4CA12CA2 | |
| SCHEMBL27704396 | 0.84 | ESR1 (0.60) | ALDH1A1HSD17B10CYP3A4MEN1APAF1 | |
| Hydroquinone SCHEMBL22289563 | 0.83 | ALDH1A1 (0.63) | ALDH1A1HSD17B10CYP3A4CA12CA2 | |
| Phenol SCHEMBL28177184 | 0.83 | TP53 (0.65) | ALDH1A1HSD17B10CA12CA2CA9 | |
| Ethane SCHEMBL16114596 | 0.83 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP3A4CA12CA2 | |
| Ammonia Solution, Strong SCHEMBL265238 | 0.83 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP3A4CA12CA2 | |
| Hydrochloric Acid SCHEMBL7071404 | 0.83 | ALDH1A1 (0.61) | ALDH1A1HSD17B10CYP3A4CA12CA2 |
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-102369223-A | Molecularly imprinted polymers | COMMW SCIENT IND RES ORG | 2012-03-07 | — | — | CN | disclosed |