Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12018918 | 1.00 | ACE (0.39) | ACEHDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL10126864 | 1.00 | ACE (0.39) | ACEHDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL23584493 | 1.00 | ACE (0.39) | ACEHDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL1357324 | 0.94 | HDAC1 (0.43) | ACEHDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL21966074 | 0.84 | ACE (0.34) | ACEHDAC1HDAC8HDAC6ALDH1A1 | |
| SCHEMBL14063959 | 0.79 | HDAC1 (0.40) | HDAC1HDAC8HDAC6CYP2D6 | |
| SCHEMBL12018877 | 0.79 | HDAC1 (0.40) | HDAC1HDAC8HDAC6CYP2D6 | |
| SCHEMBL14063961 | 0.79 | HDAC1 (0.40) | HDAC1HDAC8HDAC6CYP2D6 | |
| SCHEMBL1355665 | 0.79 | HDAC1 (0.40) | HDAC1HDAC8HDAC6CYP2D6 | |
| SCHEMBL10126853 | 0.79 | HDAC1 (0.40) | HDAC1HDAC8HDAC6CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2065368-A1 | Inhibitors of IAP | Novartis Ag (CH) | 2009-06-03 | — | — | EP | disclosed |