Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 3/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 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 | |
|---|---|---|---|---|
| SCHEMBL22792965 | 0.80 | DYRK1A (0.37) | DYRK1AESR1ESR2 | |
| SCHEMBL22792398 | 0.78 | DYRK1A (0.36) | DYRK1AHTR1BGLP1R | |
| SCHEMBL14602870 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL22792806 | 0.68 | APP (0.32) | — | |
| SCHEMBL13209265 | 0.67 | HTT (0.46) | DYRK1AHTR1B | |
| SCHEMBL9928532 | 0.66 | DYRK1A (0.33) | DYRK1AHTR1B | |
| SCHEMBL13666784 | 0.65 | DYRK1A (0.42) | DYRK1A | |
| SCHEMBL7709496 | 0.65 | DYRK1A (0.42) | DYRK1AHTR1B | |
| SCHEMBL22792427 | 0.63 | HTT (0.40) | DYRK1AHTR1B | |
| SCHEMBL18238971 | 0.63 | DYRK1A (0.31) | DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-7638530-B2 | 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents | MERCK & CO., INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7638530-B2 | 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents | MERCK & CO., INC. (US) | 2009-12-29 | — | — | US | disclosed |