Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | MEF2D | Q14814 | 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 | |
|---|---|---|---|---|
| SCHEMBL10072243 | 0.99 | MAOB (0.33) | MAOBALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL10072242 | 0.98 | MAOB (0.33) | MAOBALDH1A1HDAC3HDAC1HDAC2 | |
| SCHEMBL9895162 | 0.88 | HDAC3 (0.39) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7896386 | 0.88 | HDAC3 (0.39) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL7897506 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL9895879 | 0.85 | SMN1; SMN2 (0.38) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2706546 | 0.84 | HDAC1 (0.46) | MAOBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2706542 | 0.84 | HDAC1 (0.46) | MAOBHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10072275 | 0.84 | MAP3K7 (0.33) | HDAC1RAB9ASMN1; SMN2 | |
| SCHEMBL2705562 | 0.83 | HDAC1 (0.45) | HDAC3HDAC1HDAC2HDAC8HDAC6 |
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 |