Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK14 | O94921 | 7/20 | 0.38 |
| ▸ | CCNY | Q8ND76 | 7/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 3/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | JAK2 | O60674 | 2/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.31 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | IL2 | P60568 | 1/20 | 0.30 |
| ▸ | ITK | Q08881 | 1/20 | 0.30 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.30 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL3572477 | 1.00 | CDK14 (0.38) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3572482 | 1.00 | CDK14 (0.38) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| SCHEMBL3566002 | 0.94 | APP (0.34) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| SCHEMBL3566004 | 0.94 | APP (0.34) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3566172 | 0.89 | CHRM4 (0.38) | CDK14CCNYATMCHRM4 | |
| Trifluoroacetic Acid SCHEMBL3570807 | 0.87 | SYK (0.35) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3570797 | 0.87 | SYK (0.35) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3568696 | 0.86 | KDM4E (0.33) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3568698 | 0.86 | KDM4E (0.33) | CDK14CCNYL3MBTL1KDM4EMEN1 | |
| Trifluoroacetic Acid SCHEMBL3566373 | 0.84 | PDK2 (0.40) | CDK14CCNYKDM4EALDH1A1SYK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |