Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.42 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.42 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.42 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5877140 | 0.82 | ALDH1A1 (0.46) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5877881 | 0.81 | ABCC1 (0.53) | ALDH1A1PDE5APDE4APDE4BPDE4C | |
| SCHEMBL5877050 | 0.78 | ABCC1 (0.62) | ALDH1A1ABCC1SMN1; SMN2NPSR1TDP1 | |
| SCHEMBL5878372 | 0.78 | PDE1A (0.43) | ALDH1A1PDE5APDE1APDE1BPDE1C | |
| SCHEMBL5878320 | 0.77 | ABCC1 (0.62) | ALDH1A1ABCC1SMN1; SMN2NPSR1TDP1 | |
| SCHEMBL5877284 | 0.77 | ATM (0.58) | ALDH1A1PDE1APDE1BPDE1CABCC1 | |
| SCHEMBL5877961 | 0.76 | ABCC1 (0.56) | ALDH1A1ABCC1SMN1; SMN2NPSR1TDP1 | |
| SCHEMBL5877289 | 0.75 | KDM4E (0.59) | ALDH1A1SMN1; SMN2TDP1L3MBTL1LMNA | |
| SCHEMBL5877288 | 0.75 | KDM4E (0.59) | ALDH1A1SMN1; SMN2TDP1L3MBTL1LMNA | |
| SCHEMBL5877489 | 0.75 | ABCC1 (0.53) | ALDH1A1ABCC1NPSR1TDP1L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060706-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-06-13 | — | — | US | disclosed |