Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 10/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 9/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.36 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.36 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3784072 | 0.92 | HDAC3 (0.38) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL3784075 | 0.92 | HDAC3 (0.38) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411073 | 0.86 | TAS1R3 (0.40) | HDAC1HDAC8HDAC3HDAC2HDAC6 | |
| SCHEMBL1411075 | 0.86 | TAS1R3 (0.40) | HDAC1HDAC8HDAC3HDAC2HDAC6 | |
| SCHEMBL1411360 | 0.81 | MAOB (0.50) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411363 | 0.81 | MAOB (0.50) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411065 | 0.79 | SLC6A19 (0.39) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411066 | 0.79 | SLC6A19 (0.39) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411171 | 0.76 | TAS1R3 (0.46) | HDAC1HDAC8HDAC3HDAC2HDAC4 | |
| SCHEMBL1411166 | 0.76 | TAS1R3 (0.46) | HDAC1HDAC8HDAC3HDAC2HDAC4 |
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 |