Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.47 |
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL201216 | 0.89 | NOS1 (0.60) | HDAC1HDAC6NOS1DHFR | |
| SCHEMBL8553088 | 0.84 | HDAC1 (0.54) | HDAC1HDAC6NOS1DHFRCYP2D6 | |
| SCHEMBL2705651 | 0.80 | HDAC1 (0.48) | HDAC1HDAC6NOS1 | |
| SCHEMBL396385 | 0.76 | MAPT (0.56) | HDAC1HDAC6NOS1CYP2D6MAPT | |
| SCHEMBL1809552 | 0.76 | HDAC1 (0.51) | HDAC1HDAC6NOS1CYP2D6PDE5A | |
| SCHEMBL15522839 | 0.73 | HDAC1 (0.55) | HDAC1HDAC6PDE5APDE1APDE1B | |
| SCHEMBL8214495 | 0.72 | NOS1 (0.65) | HDAC1HDAC6NOS1DHFR | |
| SCHEMBL25714760 | 0.70 | NOS1 (0.61) | HDAC1HDAC6NOS1DHFRMAPT | |
| SCHEMBL19956579 | 0.69 | HDAC1 (0.57) | HDAC1HDAC6NOS1 | |
| SCHEMBL8538010 | 0.69 | HDAC6 (0.47) | HDAC1HDAC6 |
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-0865429-A1 | AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997021676-A1 | AZETIDINONE COMPOUNDS FOR THE TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-19 | — | — | WO | disclosed |