Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.39 |
| ▸ | FAAH | O00519 | 3/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.38 |
| ▸ | PTGIR | P43119 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29152401 | 0.90 | ALDH1A1 (0.39) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28626100 | 0.90 | EPHX2 (0.45) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28922639 | 0.86 | ALDH1A1 (0.43) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL12799925 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL3247583 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28568714 | 0.83 | ALDH1A1 (0.43) | ALDH1A1MAPK1TDP1L3MBTL1EPHX2 | |
| SCHEMBL2364488 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL27784181 | 0.83 | HTT (0.49) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| SCHEMBL28547677 | 0.82 | CETP (0.51) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 | |
| Hydrochloric Acid SCHEMBL4060020 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPK1TDP1L3MBTL1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114206885-A | Pyrazolo [3,4-B ] pyrazine SHP2 phosphatase inhibitors | 大冢制药株式会社 | 2022-03-18 | — | — | CN | disclosed |
| CN-113072499-A | Preparation method of 4-oxo-8-azaspiro [4.5] dec-2-ene-8-carboxylic acid tert-butyl ester (benzyl ester) | 南京药石科技股份有限公司 | 2021-07-06 | — | — | CN | disclosed |