Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 5/20 | 0.37 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 7/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | PRKACA | P17612 | 1/20 | 0.33 |
| ▸ | PRKACG | P22612 | 1/20 | 0.33 |
| ▸ | PRKACB | P22694 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3411093 | 0.87 | IKBKB (0.34) | TGFBR1MAPK14IKBKBLIMK1MEN1 | |
| SCHEMBL3411826 | 0.84 | IKBKB (0.45) | TGFBR1MAPK14IKBKBKMT2AKDM4E | |
| SCHEMBL1176204 | 0.82 | BRAF (0.55) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3410902 | 0.82 | LHCGR (0.35) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3408742 | 0.81 | IKBKB (0.40) | IKBKBMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL3410905 | 0.81 | BRAF (0.33) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3408720 | 0.80 | BRAF (0.35) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3407525 | 0.78 | LIMK1 (0.45) | IKBKBLIMK1MEN1KMT2AKDM4E | |
| SCHEMBL3410981 | 0.77 | LIMK1 (0.42) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3413417 | 0.76 | BRAF (0.33) | BRAFPDE4APDE4BPDE4CPDE4D |
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-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |