Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1547447 | 0.84 | CA1 (0.52) | CA12CA1CA2CA4CA7 | |
| Hydrochloric Acid SCHEMBL20984677 | 0.80 | GAA (0.42) | CA12CA1CA2CA4CA7 | |
| Bromide SCHEMBL20984824 | 0.80 | SRC (0.40) | CA12CA1CA2CA4CA7 | |
| SCHEMBL28388527 | 0.80 | PDK1 (0.37) | SRCMAPK1 | |
| SCHEMBL463746 | 0.79 | CYP1A2 (0.43) | ALDH1A1LMNAHTR1AADRA1DADRA1A | |
| SCHEMBL26406518 | 0.78 | HTR1A (0.43) | L3MBTL1CYP3A4HTR1AHTR1DHTR1B | |
| SCHEMBL11664862 | 0.77 | TAAR1 (0.49) | CA12CA1CA2CA4CA7 | |
| SCHEMBL9188769 | 0.76 | MAPK1 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9285762 | 0.75 | NFE2L2 (0.44) | CA12CA1CA2CA4CA7 | |
| SCHEMBL13435953 | 0.75 | CA1 (0.42) | CA12CA1CA2CA4CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111039940-B | Aurora A kinase inhibitor, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-109906224-B | Triazolopyridine compounds and uses thereof | 诺华股份有限公司 | 2022-02-25 | — | — | CN | disclosed |
| CN-111039940-A | Aurora A kinase inhibitor, preparation method, pharmaceutical composition and application thereof | 北京鑫开元医药科技有限公司 | 2020-04-21 | — | — | CN | disclosed |