Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.31 |
| ▸ | ADH1C | P00326 | 1/20 | 0.31 |
| ▸ | ADH1A | P07327 | 1/20 | 0.31 |
| ▸ | ADH4 | P08319 | 1/20 | 0.31 |
| ▸ | ADH7 | P40394 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL3546432 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL249058 | 1.00 | — | — | |
| SCHEMBL18713185 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL3542888 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL14456664 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL3545812 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL3195805 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL3544633 | 1.00 | ALDH1A1 (0.48) | ALDH1A1EPHX1HIF1ACES2CES1 | |
| SCHEMBL3542649 | 1.00 | — | — | |
| SCHEMBL279393 | 0.96 | — | — |
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-9815716-B2 | Method for treating fracture water for removal of contaminants at a wellhead | LAKE COUNTRY FRACWATER SPECIALISTS, LLC (US) | 2017-11-14 | — | — | US | disclosed |