Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.86 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.41 |
| ▸ | ABAT | P80404 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL195687 | 0.93 | ALDH1A1 (1.00) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL6853611 | 0.88 | ALDH1A1 (0.64) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL2149062 | 0.86 | ALDH1A1 (0.86) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL2925353 | 0.85 | ALDH1A1 (0.62) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL6735568 | 0.82 | CYP2A6 (0.73) | ALDH1A1CYP2A6TYRCYP2A13HSD17B10 | |
| SCHEMBL28538380 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL21738358 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL9264469 | 0.81 | ALDH1A1 (0.76) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 | |
| SCHEMBL7033576 | 0.80 | ALDH1A1 (0.50) | ALDH1A1CYP1A1CYP1A2CYP1B1LMNA | |
| Glutaral SCHEMBL5805442 | 0.79 | ALDH1A1 (0.73) | ALDH1A1CYP2A6FBP1CYP1A1CYP1A2 |
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-20180057635-A1 | POLYARYLENE SULFIDE RESIN, METHOD FOR PRODUCING SAME, POLY(ARYLENE SULFONIUM SALT), AND METHOD FOR PRODUCING POLY(ARYLENE SULFONIUM SALT) | DIC CORPORATION (JP) | 2018-03-01 | — | — | US | disclosed |