Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL28574422 | 0.86 | PAOX (0.36) | PAOXALDH1A1 | |
| SCHEMBL19432370 | 0.84 | CYP2C9 (0.45) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL1180136 | 0.84 | PAOX (0.46) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL15203425 | 0.82 | PAOX (0.44) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| Trolamine SCHEMBL15733301 | 0.82 | CYP1A2 (0.33) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL4090086 | 0.82 | PAOX (0.44) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| SCHEMBL11465052 | 0.82 | PAOX (0.58) | PAOXCYP1A2ALDH1A1MEN1KMT2A | |
| Diethanolamine SCHEMBL9785646 | 0.81 | PAOX (0.41) | PAOXCYP1A2CYP2C9HPGDMAPK1 | |
| Diethanolamine SCHEMBL3675531 | 0.81 | PAOX (0.42) | PAOXCYP1A2HSD17B10ALDH1A1CYP2D6 | |
| SCHEMBL96357 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0382061-B1 | Process for inhibiting the corrosion of vapor/condensed water systems | KURITA WATER IND LTD (JP) | 1994-04-06 | — | — | EP | disclosed |