Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | PDE5A | O76074 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL6707067 | 0.95 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL6707030 | 0.95 | ALDH1A1 (0.42) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL7099400 | 0.92 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL6709515 | 0.92 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL7095239 | 0.92 | SMN1; SMN2 (0.41) | SMN1; SMN2ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL6709505 | 0.89 | HDAC3 (0.41) | SMN1; SMN2ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL6706987 | 0.89 | ALDH1A1 (0.44) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL6709592 | 0.88 | HSD17B10 (0.41) | SMN1; SMN2ALDH1A1KDM4EPOLBMAPT | |
| SCHEMBL6709541 | 0.88 | KDM4E (0.46) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB | |
| SCHEMBL6763990 | 0.87 | KDM4E (0.46) | SMN1; SMN2ALDH1A1HTTKDM4EPOLB |
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-1355649-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO 4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GmbH (DE) | 2003-10-29 | — | — | EP | disclosed |
| WO-2002060449-A2 | PHARMACEUTICAL FORMULATION CONTAINING PYRAZOLO[4,3-D]PYRIMIDINE AND NITRATES OR THIENOPYRIMIDINES AND NITRATES | MERCK PATENT GMBH (DE) | 2002-08-08 | — | — | WO | disclosed |