Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29905006 | 0.88 | KDM4E (0.55) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL5199298 | 0.87 | ALDH1A1 (0.49) | CA12CA1CA2CA7CA9 | |
| Alcohol SCHEMBL27668805 | 0.83 | NPC1 (0.55) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL15547744 | 0.83 | NFE2L2 (0.47) | HTTCA12CA1CA2CA7 | |
| SCHEMBL7172325 | 0.82 | MAPK1 (0.81) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL29603325 | 0.81 | MAPT (0.59) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL152563 | 0.81 | MAPT (0.59) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL5199939 | 0.81 | ALDH1A1 (0.48) | MAPK1HTTCA12CA1CA2 | |
| SCHEMBL14382477 | 0.81 | KDM4E (0.68) | MAPK1HTTKDM4EKMT2AMEN1 | |
| SCHEMBL16165685 | 0.81 | KMT2A (0.54) | MAPK1HTTCA12CA1CA2 |
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-113880717-B | Diester group substituted methyl salicylate analogue, and preparation method and application thereof | 中国农业大学 | 2022-09-13 | — | — | CN | disclosed |