Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.71 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.71 |
| ▸ | CASP1 | P29466 | 1/20 | 0.71 |
| ▸ | CASP7 | P55210 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 6/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL296759 | 0.85 | CYP3A4 (0.83) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL5481727 | 0.85 | CYP3A4 (0.83) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL29351116 | 0.84 | — | — | |
| SCHEMBL6187 | 0.84 | — | — | |
| SCHEMBL5167521 | 0.84 | CYP3A4 (1.00) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Hypochlorous Acid SCHEMBL6151500 | 0.81 | CYP3A4 (0.77) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Methyl Alcohol SCHEMBL9725170 | 0.81 | CYP3A4 (0.77) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL3214813 | 0.81 | CYP3A4 (0.77) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| SCHEMBL6537125 | 0.81 | CYP3A4 (0.77) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 | |
| Hydrogen Peroxide SCHEMBL28372013 | 0.81 | CYP3A4 (0.77) | CYP3A4ALOX15CASP1CASP7SMN1; SMN2 |
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-113136020-B | Water-based polyurethane polymer and preparation method thereof, single-component water-based polyurethane waterproof coating and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | claimed |