Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | BRS3 | P32247 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL19031888 | 0.78 | HDAC3 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28677835 | 0.76 | KCNN4 (0.51) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19031884 | 0.75 | MAPT (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19031871 | 0.70 | HDAC4 (0.46) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL19031934 | 0.69 | CYP19A1 (0.44) | CYP19A1LMNACYP1A2CYP3A4CYP11B1 | |
| SCHEMBL19031874 | 0.68 | CYP3A4 (0.51) | CYP19A1LMNACYP1A2CYP3A4CYP11B1 | |
| SCHEMBL4373828 | 0.67 | HDAC3 (0.70) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2844474 | 0.67 | HDAC3 (1.00) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL28364160 | 0.66 | CXCR2 (0.42) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8113597 | 0.66 | HDAC3 (0.68) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |