Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.60 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CTSA | P10619 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ALPL | P05186 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30614602 | 1.00 | MCL1 (0.60) | MCL1CHEK1ADORA3CTSAALDH1A1 | |
| SCHEMBL28473632 | 0.87 | PARP1 (0.51) | MCL1CHEK1ADORA3CTSAALDH1A1 | |
| SCHEMBL8700788 | 0.87 | MCL1 (0.64) | MCL1CHEK1ADORA3ALDH1A1MAPT | |
| SCHEMBL25002929 | 0.86 | ADORA3 (0.52) | MCL1ADORA3CTSAALDH1A1MAPT | |
| SCHEMBL28441178 | 0.86 | ALDH1A1 (0.50) | MCL1ADORA3CTSAALDH1A1HPGD | |
| SCHEMBL3138819 | 0.86 | PARP1 (0.60) | MCL1ADORA3CTSAALDH1A1HPGD | |
| SCHEMBL14151460 | 0.84 | ALDH1A1 (0.59) | MCL1ADORA3CTSAALDH1A1MAPT | |
| SCHEMBL3129022 | 0.84 | MCL1 (0.67) | MCL1KDM4EALOX15TSHRACMSD | |
| SCHEMBL29660380 | 0.83 | KDM4E (0.55) | MCL1ADORA3ALDH1A1MAPTHPGD | |
| SCHEMBL17049444 | 0.83 | MCL1 (0.55) | MCL1ALDH1A1SMN1; SMN2ECE1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | claimed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | claimed |
| WO-2022125736-A1 | A TAUTOMERIC LIGAND ENABLES BIOMIMETIC C-H HYDROXYLATION WITH MOLECULAR OXYGEN | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-06-16 | — | — | WO | disclosed |
| CN-111440174-B | Pyridine amide compound and preparation method and application thereof | 广州医科大学 | 2021-07-09 | — | — | CN | disclosed |
| CN-111440174-A | Pyridine amide compound and preparation method and application thereof | 广州医科大学 | 2020-07-24 | — | — | CN | disclosed |
| EP-1919875-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | Astex Therapeutics Limited (GB) | 2008-05-14 | — | — | EP | disclosed |
| WO-2006136829-A2 | PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |