Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 7/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3869252 | 0.90 | KDM4E (0.41) | HDAC4HDAC6HDAC1HDAC2HDAC8 | |
| SCHEMBL13937556 | 0.87 | CTSS (0.45) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5823094 | 0.85 | WNT3A (0.40) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6077337 | 0.82 | CTSS (0.43) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8360108 | 0.82 | CTSS (0.43) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8292288 | 0.79 | CTSS (0.44) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6077329 | 0.78 | CTSS (0.41) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8361671 | 0.78 | CTSS (0.41) | HDAC4HDAC6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL6288672 | 0.77 | HDAC4 (0.34) | HDAC4HDAC6WNT3A | |
| SCHEMBL14563109 | 0.75 | CTSS (0.48) | CYP1A2CYP3A4CYP2C9NPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005040142-A9 | NOVEL KETO-OXADIAZOLE DERIVATIVES AS CATHEPSIN INHIBITORS | AVENTIS PHARMA INC (US) | 2005-06-09 | — | — | WO | claimed |