Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | LIPC | P11150 | 11/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 8/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL6630166 | 1.00 | HDAC6 (0.45) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6633338 | 0.86 | MAPK1 (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6062888 | 0.86 | MAPK1 (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6063224 | 0.86 | HDAC3 (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6633085 | 0.86 | HDAC3 (0.43) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6063017 | 0.86 | MAPK1 (0.42) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6629203 | 0.86 | MAPK1 (0.42) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6631489 | 0.82 | HDAC3 (0.47) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6062081 | 0.81 | HDAC3 (0.41) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6062076 | 0.81 | HDAC3 (0.41) | HDAC6HDAC3HDAC4HDAC1HDAC7 |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |