Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9831 | 0.94 | ALDH1A1 (0.59) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| Hydrochloric Acid SCHEMBL5057702 | 0.91 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL254443 | 0.88 | MAOB (0.55) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL28674781 | 0.82 | LOXL2 (0.55) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL9587169 | 0.80 | PKM (0.66) | ALDH1A1PKMGAAHTTLMNA | |
| SCHEMBL23330034 | 0.79 | CHRM2 (0.61) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL22168912 | 0.79 | ALDH1A1 (0.53) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL6634889 | 0.78 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2NPC1MAPT | |
| SCHEMBL7346729 | 0.78 | ALDH1A1 (0.61) | ALDH1A1PKMCHRM2LTA4HNPC1 | |
| SCHEMBL121529 | 0.78 | CHRM2 (0.70) | ALDH1A1PKMCHRM2GAAIDO1 |
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-110194770-A | Peptide acyl arginine deiminase inhibitor and application thereof | 南京药捷安康生物科技有限公司 | 2019-09-03 | — | — | CN | disclosed |