Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | JUN | P05412 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19031899 | 1.00 | CYP11B2 (0.53) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL19031901 | 0.91 | ALDH1A1 (0.51) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL9835080 | 0.87 | AKR1C1 (0.68) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL4965828 | 0.87 | AKR1C1 (0.68) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL4965835 | 0.87 | AKR1C1 (0.68) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL3373184 | 0.87 | AKR1C1 (0.67) | AKR1C1CYP1A1CYP1A2CYP1B1CYP3A4 | |
| SCHEMBL3373182 | 0.87 | AKR1C1 (0.67) | AKR1C1CYP1A1CYP1A2CYP1B1CYP3A4 | |
| SCHEMBL8646379 | 0.84 | AKR1C1 (0.68) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL8646375 | 0.84 | AKR1C1 (0.68) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 | |
| SCHEMBL5420133 | 0.82 | MAPT (0.58) | CYP11B2CYP19A1AKR1C1CYP1A1CYP1A2 |
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 |