Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 2/20 | 0.42 |
| ▸ | BCDIN3D | Q7Z5W3 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6708187 | 0.95 | KDM4E (0.44) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6711591 | 0.94 | KDM4E (0.43) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6708284 | 0.93 | KDM4E (0.49) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL27675471 | 0.91 | KDM4E (0.43) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6708130 | 0.90 | KDM4E (0.47) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6706629 | 0.89 | KDM4E (0.47) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6708275 | 0.88 | KDM4E (0.46) | KDM4EALDH1A1LMNAHPGDSMN1; SMN2 | |
| SCHEMBL6212918 | 0.85 | ACHE (0.45) | PDE5A | |
| SCHEMBL6706625 | 0.85 | ACHE (0.44) | PDE5ABCDIN3D | |
| SCHEMBL5251577 | 0.84 | MAPT (0.46) | SMN1; SMN2NPSR1PDE5AGAAKMT2A |
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-1357915-A2 | PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO 4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 2003-11-05 | — | — | EP | disclosed |
| WO-2002062343-A2 | PHARMACEUTICAL FORMULATION COMPRISING PYRAZOLO[4,3-d]PYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS OR THIENOPYRIMIDINES AND ENDOTHELIN RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2002-08-15 | — | — | WO | disclosed |