Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | BRAF | P15056 | 2/20 | 0.41 |
| ▸ | PDE4A | P27815 | 2/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3412095 | 0.87 | IKBKB (0.47) | IKBKBADORA2AADORA1LIMK1MAPT | |
| SCHEMBL3407525 | 0.87 | LIMK1 (0.45) | IKBKBADORA2AADORA1LIMK1MAPT | |
| SCHEMBL3413379 | 0.84 | IKBKB (0.43) | IKBKBADORA2AADORA1LIMK1MAPT | |
| SCHEMBL3406906 | 0.84 | MAPT (0.45) | IKBKBLIMK1MAPTKDM4EALDH1A1 | |
| SCHEMBL1176286 | 0.84 | IKBKB (0.62) | IKBKBLIMK1BRAFPDE4APDE4B | |
| SCHEMBL3408735 | 0.83 | IKBKB (0.42) | IKBKBADORA2AADORA1LIMK1MAPT | |
| SCHEMBL3406840 | 0.83 | LIMK1 (0.42) | ADORA2AADORA1LIMK1BRAFPDE4A | |
| SCHEMBL3406686 | 0.82 | IKBKB (0.47) | IKBKBBRAFPDE4APDE4BPDE4C | |
| SCHEMBL3409501 | 0.78 | IKBKB (0.44) | IKBKBADORA2AADORA1LIMK1MAPT | |
| SCHEMBL3411690 | 0.77 | MAPT (0.41) | 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 4 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 | claimed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | claimed |
| 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 |