Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.40 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31430456 | 0.79 | HDAC6 (0.54) | HDAC6HDAC3HDAC1HDAC8KCNH2 | |
| SCHEMBL2931110 | 0.77 | HDAC6 (0.53) | HDAC6KCNH2MEN1GAAKMT2A | |
| SCHEMBL31430548 | 0.77 | HDAC6 (0.62) | HDAC6HDAC3HDAC1HDAC8KCNH2 | |
| SCHEMBL31430624 | 0.75 | LCK (0.57) | HDAC6HDAC3HDAC1HDAC8HDAC2 | |
| SCHEMBL12885864 | 0.75 | HDAC6 (0.44) | HDAC6HDAC3HDAC1HDAC8HDAC2 | |
| SCHEMBL23698048 | 0.74 | MGLL (0.52) | HDAC6HDAC3HDAC1HDAC8HDAC2 | |
| SCHEMBL6790090 | 0.73 | TDP1 (0.47) | HDAC6MEN1GAAKMT2ASMN1; SMN2 | |
| SCHEMBL9237045 | 0.73 | HDAC6 (0.49) | HDAC6HDAC3HDAC1HDAC8KCNH2 | |
| SCHEMBL21066322 | 0.73 | HDAC6 (0.52) | HDAC6HDAC3HDAC1HDAC8KCNH2 | |
| SCHEMBL31430603 | 0.73 | HDAC6 (0.58) | HDAC6HDAC3HDAC1HDAC8KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101379060-A | Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use | TRANSTECH PHARMA INC (US) | 2009-03-04 | — | — | CN | disclosed |