Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 6/20 | 0.57 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 6/20 | 0.57 |
| ▸ | CA7 | P43166 | 6/20 | 0.57 |
| ▸ | CA9 | Q16790 | 6/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.57 |
| ▸ | ESR1 | P03372 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.57 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydroquinone SCHEMBL9547887 | 0.94 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| Hydroquinone SCHEMBL28100131 | 0.94 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| P-Xylene SCHEMBL2536913 | 0.91 | ALDH1A1 (0.70) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| Parachlorophenol SCHEMBL28067607 | 0.84 | ALDH1A1 (0.54) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| Phenol SCHEMBL7702440 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| Mequinol SCHEMBL8991678 | 0.82 | ESR2 (0.53) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| P-Cresol SCHEMBL27737303 | 0.82 | CA12 (0.55) | ALDH1A1LMNACA12CA1CA2 | |
| Ethyl Acetate SCHEMBL28273284 | 0.82 | LMNA (0.58) | ALDH1A1LMNAHSD17B10ACHEMAPT | |
| Bisphenol A SCHEMBL31303881 | 0.81 | ESR1 (0.57) | ALDH1A1LMNAHSD17B10CA12CA1 | |
| Toluene SCHEMBL1498823 | 0.81 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10CA12CA1 |
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-108464990-A | Gynura procumbens (Lour.) Merr water extract is preparing the purposes in treating nonalcoholic fatty liver drug | 湖北大学 | 2018-08-31 | — | — | CN | disclosed |