Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 14/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 12/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2705567 | 1.00 | HDAC1 (0.41) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL2705563 | 1.00 | HDAC1 (0.41) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL9895637 | 0.88 | HDAC3 (0.49) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL9895636 | 0.88 | HDAC3 (0.49) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL7897836 | 0.88 | HDAC3 (0.49) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL10072244 | 0.88 | SMN1; SMN2 (0.35) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| Trifluoroacetic Acid SCHEMBL9904047 | 0.83 | HDAC3 (0.45) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| Trifluoroacetic Acid SCHEMBL9895157 | 0.83 | HDAC3 (0.45) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL2707166 | 0.77 | HDAC8 (0.53) | HDAC1HDAC3HDAC8HDAC6HDAC4 | |
| SCHEMBL2707161 | 0.77 | HDAC8 (0.53) | HDAC1HDAC3HDAC8HDAC6HDAC4 |
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-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |