Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PLK4 | O00444 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27775543 | 0.85 | MCL1 (0.39) | SMN1; SMN2RARARARBRARG | |
| SCHEMBL27516241 | 0.85 | CA1 (0.39) | CA1CA2HCAR2KDM4EAURKA | |
| SCHEMBL27775508 | 0.85 | HCAR3 (0.36) | HCAR2RARARARBRARG | |
| SCHEMBL27371651 | 0.84 | BCL2L1 (0.38) | GPR35HCAR2CCR2RARARARB | |
| SCHEMBL28186443 | 0.82 | NCOA1 (0.44) | NR4A1NR4A2NR4A3GPR35HCAR2 | |
| SCHEMBL27798959 | 0.81 | BUB1 (0.34) | KMO | |
| SCHEMBL28798118 | 0.81 | HCAR2 (0.38) | HCAR2GSK3BDYRK1A | |
| SCHEMBL27975975 | 0.80 | LIPG (0.33) | RARARARBRARG | |
| SCHEMBL27749870 | 0.79 | DHODH (0.34) | KDRGSK3AGSK3BDYRK1A | |
| SCHEMBL28185681 | 0.77 | HCAR2 (0.34) | CA1CA2GPR35HCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103874700-B | Pyrazolo [3,4-c ] pyridine compounds and methods of use | 霍夫曼-拉罗奇有限公司 | 2018-03-30 | — | — | CN | claimed |
| CN-105980387-A | Serine/threonine kinase inhibitors | 阵列生物制药公司 | 2016-09-28 | — | — | CN | claimed |
| CN-103874700-B | Pyrazolo [3,4-c ] pyridine compounds and methods of use | 霍夫曼-拉罗奇有限公司 | 2018-03-30 | — | — | CN | disclosed |
| CN-105517547-A | Pyrrolo-pyrrole carbamate and related organic compounds, pharmaceutical compositions, and medical uses thereof | ABIDE THERAPEUTICS | 2016-04-20 | — | — | CN | disclosed |