Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.31 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GSDMD | P57764 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Ethylene Glycol SCHEMBL9319346 | 0.97 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL27917720 | 0.92 | — | — | |
| SCHEMBL8079183 | 0.92 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL41205 | 0.92 | — | — | |
| Alcohol SCHEMBL11236205 | 0.89 | — | — | |
| SCHEMBL8198721 | 0.89 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL5690 | 0.89 | — | — | |
| Ethylene Glycol SCHEMBL9319243 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2C9HPGDCA12 | |
| SCHEMBL25180981 | 0.86 | — | — | |
| SCHEMBL6228085 | 0.86 | — | — |
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-4141846-A | XANTHATE-SUBSTITUTED SULFUR-BRIDGED RINGS, ODORLESS | EDWIN COOPER AND COMPANY LIMITED (GB) | 1979-02-27 | — | — | US | disclosed |