Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5117254 | 0.95 | ESR1 (0.57) | ESR1GAARXFP1PDE5AAPP | |
| SCHEMBL7167188 | 0.88 | GAA (0.50) | ESR1GAARXFP1ALDH1A1KDM4E | |
| SCHEMBL7175621 | 0.85 | GAA (0.47) | ESR1GAARXFP1ALDH1A1KDM4E | |
| SCHEMBL5122868 | 0.85 | ESR1 (0.57) | ESR1GAARXFP1PDE5AAPP | |
| SCHEMBL5129084 | 0.83 | GAA (0.54) | ESR1GAARXFP1ALDH1A1KDM4E | |
| SCHEMBL20668099 | 0.82 | GAA (0.68) | GAARXFP1ALDH1A1KDM4ELMNA | |
| SCHEMBL7173306 | 0.82 | ESR1 (0.44) | ESR1GAARXFP1PDE5AAPP | |
| SCHEMBL7171683 | 0.81 | PDE5A (0.46) | ESR1GAARXFP1PDE5A | |
| SCHEMBL7173140 | 0.80 | CHRM4 (0.45) | GAARXFP1PDE5AALDH1A1KDM4E | |
| SCHEMBL7172475 | 0.80 | ALDH1A1 (0.51) | ESR1GAARXFP1PDE5AALDH1A1 |
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-0920431-A1 | THIENOPYRIMIDINES | MERCK PATENT GmbH (DE) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998006722-A1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |