Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.34 |
| ▸ | ITGAV | P06756 | 6/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.32 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.31 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18152198 | 1.00 | HDAC6 (0.40) | HDAC6HDAC11ITGB3ITGAVNPY5R | |
| SCHEMBL18152061 | 0.83 | HDAC8 (0.37) | HDAC6CALCRLRPS6KA2RPS6KA3 | |
| SCHEMBL18152160 | 0.83 | HDAC8 (0.37) | HDAC6CALCRLRPS6KA2RPS6KA3 | |
| SCHEMBL18152050 | 0.80 | CALCRL (0.39) | HDAC6CALCRLALDH1A1MAPT | |
| SCHEMBL18152102 | 0.80 | CALCRL (0.39) | HDAC6CALCRLALDH1A1MAPT | |
| SCHEMBL18153855 | 0.79 | HDAC8 (0.35) | HDAC6CALCRLRPS6KA2RPS6KA3 | |
| SCHEMBL18153955 | 0.79 | HDAC8 (0.35) | HDAC6CALCRLRPS6KA2RPS6KA3 | |
| SCHEMBL18152134 | 0.79 | HDAC6 (0.33) | HDAC6CALCRL | |
| SCHEMBL18152156 | 0.77 | HDAC8 (0.33) | HDAC6CALCRL | |
| SCHEMBL18152094 | 0.77 | HDAC8 (0.33) | HDAC6CALCRL |
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-2016168598-A1 | 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS | FORMA THERAPEUTICS, INC. (US) | 2016-10-20 | — | — | WO | disclosed |