Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE1A | P54750 | 5/20 | 0.69 |
| ▸ | PDE1B | Q01064 | 5/20 | 0.69 |
| ▸ | PDE1C | Q14123 | 5/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | PDE2A | O00408 | 4/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | CNOT7 | Q9UIV1 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7606356 | 0.85 | PDE1A (0.67) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL1944565 | 0.84 | PDE1A (0.82) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL1944712 | 0.74 | POLB (0.70) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL7608527 | 0.74 | POLB (0.59) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL7605727 | 0.74 | KMT2A (0.55) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL7605036 | 0.74 | BRD4 (0.68) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL555093 | 0.73 | ALDH1A1 (0.65) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL1946890 | 0.72 | POLB (0.67) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL3615415 | 0.71 | ALDH1A1 (0.63) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 | |
| SCHEMBL1947176 | 0.71 | KMT2A (0.71) | PDE1APDE1BPDE1CSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1066146-C | Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof | AVENTIS PHARMACEUTICALS AG (DE) | 2001-05-23 | — | — | CN | disclosed |
| CN-1169993-A | Use of theophylline derivatives for curing and preventing shock state, xanthine derivatives and preparation thereof | HOECHST AG (DE) | 1998-01-14 | — | — | CN | disclosed |