Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ASPH | Q12797 | 1/20 | 0.37 |
| ▸ | KDM8 | Q8N371 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29918922 | 0.82 | L3MBTL1 (0.45) | ATRSSTR4KDM4EASPHKDM8 | |
| SCHEMBL2067513 | 0.82 | L3MBTL1 (0.45) | ATRSSTR4KDM4EASPHKDM8 | |
| SCHEMBL17980990 | 0.81 | ATR (0.41) | ATRCNR1CNR2GABRA1GABRG2 | |
| SCHEMBL2414354 | 0.81 | POLB (0.44) | ATRCNR1CNR2GABRA1GABRG2 | |
| SCHEMBL30631999 | 0.80 | ATR (0.43) | ATRCNR1CNR2GABRA1GABRG2 | |
| SCHEMBL21803182 | 0.80 | ATR (0.43) | ATRCNR1CNR2GABRA1GABRG2 | |
| SCHEMBL21561868 | 0.76 | KDM4E (0.43) | SSTR4KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL18132280 | 0.75 | KDM4E (0.37) | SSTR4KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL30605221 | 0.75 | KDM4E (0.37) | SSTR4KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL23971112 | 0.75 | ATR (0.46) | ATRCNR1CNR2GABRA1GABRG2 |
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-107540699-A | A kind of synthetic method of the boric acid hydrochloride of 2 amino, 3 fluorine pyridine 4 | 康化（上海）新药研发有限公司 | 2018-01-05 | — | — | CN | disclosed |