Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | PDE6C | P51160 | 1/20 | 0.33 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7206620 | 0.89 | PDE5A (0.38) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL7204385 | 0.85 | PDE5A (0.36) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL6326040 | 0.78 | PDE5A (0.38) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL6709011 | 0.76 | MTOR (0.39) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL7201333 | 0.76 | PDE5A (0.39) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL6707578 | 0.74 | MTOR (0.38) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL6710404 | 0.74 | MTOR (0.37) | PDE5ANPC1RAB9AMTORSMN1; SMN2 | |
| SCHEMBL7201875 | 0.67 | PDE5A (0.38) | PDE5ANPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6710420 | 0.65 | PDE5A (0.41) | PDE5AMTOR | |
| SCHEMBL3127667 | 0.64 | PDE5A (0.61) | PDE5AMTORPDE6CMEN1ALDH1A1 |
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 |