Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.38 |
| ▸ | DRD4 | P21917 | 2/20 | 0.38 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL396913 | 0.86 | CHRM2 (0.51) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL28929695 | 0.83 | CHRM2 (0.53) | CYP19A1CHRM2CHRM1CHRM3OPRM1 | |
| Phosphonic Acid SCHEMBL29035527 | 0.79 | CHRM2 (0.46) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL27965739 | 0.77 | ESR1 (0.52) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL3391343 | 0.76 | OPRM1 (0.47) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL10452446 | 0.76 | KCNN4 (0.51) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL14810250 | 0.75 | CHRM2 (0.39) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL11752498 | 0.74 | CHRM2 (0.51) | CHRM2CHRM1CHRM3OPRM1DRD3 | |
| SCHEMBL19031888 | 0.74 | HDAC3 (0.47) | CYP19A1CYP2C19HIF1ABCAT2CYP1A2 | |
| SCHEMBL2202827 | 0.73 | CHRM3 (0.47) | CHRM2CHRM1CHRM3OPRM1DRD3 |
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-3394067-A1 | 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES | Merck Sharp & Dohme Corp. (US) | 2018-10-31 | — | — | EP | disclosed |
| WO-2017112617-A1 | 4-AMINO-2-(1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL)-6-OXO-6,7-DIHYDRO-5H-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AND THE RESPECTIVE (1H-INDAZOL-3-YL) DERIVATIVES AS CGMP MODULATORS FOR TREATING CARDIOVASCULAR DISEASES | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |