Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 14/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 13/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 13/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 10/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2706465 | 1.00 | HDAC3 (0.53) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL9894470 | 0.89 | HDAC3 (0.57) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL9894467 | 0.89 | HDAC3 (0.57) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2704551 | 0.88 | HDAC4 (0.59) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2704546 | 0.88 | HDAC4 (0.59) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2707021 | 0.85 | HDAC3 (0.43) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2707017 | 0.85 | HDAC3 (0.43) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2704483 | 0.85 | HDAC2 (0.43) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| SCHEMBL2704480 | 0.85 | HDAC2 (0.43) | HDAC3HDAC1HDAC8HDAC2HDAC6 | |
| Trifluoroacetic Acid SCHEMBL9895878 | 0.82 | HDAC3 (0.50) | HDAC3HDAC1HDAC8HDAC2HDAC6 |
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 |