Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 4/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | WHR1 | P49842 | 4/20 | 0.49 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.49 |
| ▸ | NSD2 | O96028 | 2/20 | 0.48 |
| ▸ | EGFR | P00533 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.44 |
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 SCHEMBL4965758 | 0.94 | IRAK4 (0.57) | IRAK4CYP1A2CYP2C19HSD17B10USP2 | |
| Trifluoroacetic Acid SCHEMBL4969508 | 0.83 | EGFR (0.49) | EHMT2EGFRKDM4ELMNAMAPK1 | |
| Trifluoroacetic Acid SCHEMBL29453049 | 0.79 | WHR1 (0.55) | CHEK1CHEK2WHR1EHMT2NSD2 | |
| Trifluoroacetic Acid SCHEMBL29453050 | 0.79 | WHR1 (0.55) | CHEK1CHEK2WHR1EHMT2NSD2 | |
| Trifluoroacetic Acid SCHEMBL4969504 | 0.77 | PDE10A (0.39) | WHR1EHMT2EGFRMAPK1FGFR1 | |
| Trifluoroacetic Acid SCHEMBL29453062 | 0.76 | WHR1 (0.70) | WHR1EHMT2 | |
| Trifluoroacetic Acid SCHEMBL20602884 | 0.76 | WHR1 (0.70) | WHR1EHMT2 | |
| Trifluoroacetic Acid SCHEMBL22026553 | 0.76 | WHR1 (0.70) | WHR1EHMT2 | |
| Trifluoroacetic Acid SCHEMBL30264700 | 0.75 | KIT (0.46) | EGFRFGFR1FLT1FLT4KDR | |
| Trifluoroacetic Acid SCHEMBL28551464 | 0.73 | HRH4 (0.51) | IRAK4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1899319-A2 | AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-19 | — | — | EP | disclosed |
| EP-1893206-A2 | SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-03-05 | — | — | EP | disclosed |
| WO-2006135649-A2 | AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-12-21 | — | — | WO | disclosed |
| WO-2006135636-A2 | SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-12-21 | — | — | WO | disclosed |