Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.58 |
| ▸ | NQO2 | P16083 | 1/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13853838 | 0.87 | SLC7A5 (0.55) | SLC7A5HDAC6HDAC8HDAC2MMP13 | |
| SCHEMBL19634824 | 0.87 | HTT (0.52) | SLC7A5NQO2HDAC6HDAC8HDAC2 | |
| SCHEMBL24782509 | 0.86 | SLC7A5 (0.57) | SLC7A5HDAC6HDAC8HDAC2MMP13 | |
| SCHEMBL8277397 | 0.85 | SLC7A5 (0.59) | SLC7A5HDAC6HDAC8HDAC2MMP13 | |
| SCHEMBL8646446 | 0.85 | HDAC1 (0.57) | HDAC6HDAC8HDAC2HDAC1HDAC3 | |
| SCHEMBL3530258 | 0.83 | KMT2A (0.64) | HDAC6HDAC8HDAC2HDAC1HDAC3 | |
| SCHEMBL16380331 | 0.83 | ROCK2 (0.53) | HDAC6HDAC8HDAC2HDAC1HDAC3 | |
| SCHEMBL21015870 | 0.83 | HDAC6 (0.52) | SLC7A5HDAC6HDAC8HDAC2MMP13 | |
| SCHEMBL27409260 | 0.83 | SLC7A5 (0.55) | SLC7A5HDAC6HDAC8MMP13ROCK2 | |
| SCHEMBL1899410 | 0.82 | NPSR1 (0.57) | HDAC6HDAC8HDAC2HDAC1HDAC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023205188-A1 | POTENT AND SELECTIVE HDAC6 MACROCYCLIC INHIBITORS | UNIVERSITY OF WASHINGTON (US) | 2023-10-26 | — | — | WO | disclosed |
| EP-3831841-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T Global Inc. (US) | 2021-06-09 | — | — | EP | disclosed |
| WO-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |