Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2781437 | 0.86 | ALDH1A1 (0.63) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| Hydrochloric Acid SCHEMBL27517470 | 0.84 | ALDH1A1 (0.61) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL2203788 | 0.83 | KMT2A (0.52) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL7982157 | 0.81 | NPSR1 (0.47) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL3430030 | 0.77 | NPSR1 (0.47) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL28618700 | 0.76 | ALDH1A1 (0.52) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL6259046 | 0.75 | HTT (0.50) | NPSR1ALDH1A1HTTPOLBNPC1 | |
| SCHEMBL6688096 | 0.73 | HPGD (0.49) | ALDH1A1POLBNPC1RAB9AKMT2A | |
| SCHEMBL3426753 | 0.72 | MEN1 (0.54) | NPSR1ALDH1A1HTTNPC1RAB9A | |
| SCHEMBL9345905 | 0.72 | ALDH1A1 (0.47) | NPSR1ALDH1A1HTTPOLBNPC1 |
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 |