Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 2/20 | 0.38 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1176475 | 0.86 | IKBKB (0.56) | IKBKBADORA2AADORA1EEF2KBRAF | |
| SCHEMBL3414021 | 0.84 | IKBKB (0.42) | IKBKBADORA2AADORA1EEF2KKDM4E | |
| SCHEMBL3411850 | 0.83 | IKBKB (0.48) | IKBKBEEF2KBRAFPDE4APDE4B | |
| SCHEMBL3407889 | 0.81 | IKBKB (0.51) | IKBKBEEF2KALDH1A1HPGDKDM4E | |
| SCHEMBL3406686 | 0.80 | IKBKB (0.47) | IKBKBEEF2KBRAFPDE4APDE4B | |
| SCHEMBL3411616 | 0.72 | IKBKB (0.40) | IKBKBEEF2KBRAFPDE4APDE4B | |
| SCHEMBL3657555 | 0.71 | EEF2K (0.46) | IKBKBADORA2AEEF2KBRAFALDH1A1 | |
| SCHEMBL3413366 | 0.71 | IKBKB (0.41) | IKBKBADORA2AADORA1EEF2KALDH1A1 | |
| SCHEMBL1176329 | 0.70 | IKBKB (0.58) | IKBKBADORA2AADORA1EEF2KBRAF | |
| SCHEMBL12885228 | 0.70 | ALDH1A1 (0.37) | ALDH1A1HPGDPOLBKDM4EMAPT |
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 |