Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 5/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 5/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3692627 | 1.00 | HDAC1 (0.37) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL1177797 | 0.93 | HDAC1 (0.35) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL1177803 | 0.89 | BACE1 (0.35) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL3707611 | 0.88 | HDAC1 (0.43) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL1081120 | 0.88 | HDAC1 (0.43) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL1177799 | 0.86 | BACE1 (0.34) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL16579507 | 0.86 | MEN1 (0.39) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL16579506 | 0.86 | MEN1 (0.39) | HDAC1HDAC3HDAC8HDAC4HDAC6 | |
| SCHEMBL3696480 | 0.85 | PTGES (0.40) | MEN1KMT2ALMNA | |
| SCHEMBL16579476 | 0.85 | PTGES (0.40) | MEN1KMT2ALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8987256-B2 | Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-03-24 | — | — | US | disclosed |