Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | CTSB | P07858 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24535009 | 0.83 | ALDH1A1 (0.52) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL8784388 | 0.82 | ALDH1A1 (0.60) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL10399514 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL9557702 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL9557711 | 0.81 | ALDH1A1 (0.58) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL12447238 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL20349700 | 0.80 | SLC1A1 (0.49) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL14191127 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL8847758 | 0.80 | ALDH1A1 (0.53) | ALDH1A1HCAR2TDP1KMT2AMAPK1 | |
| SCHEMBL27426825 | 0.80 | SLC1A1 (0.49) | ALDH1A1HCAR2TDP1KMT2AMAPK1 |
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-107011203-B | A kind of preparation method of LCZ696 intermediate A HU-377 | 江苏阿尔法药业有限公司 | 2019-03-29 | — | — | CN | claimed |
| CN-107011203-B | A kind of preparation method of LCZ696 intermediate A HU-377 | 江苏阿尔法药业有限公司 | 2019-03-29 | — | — | CN | disclosed |