Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.63 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2107514 | 0.89 | HDAC1 (0.65) | HDAC1HDAC3NCOR2HDAC2HDAC4 | |
| SCHEMBL247987 | 0.82 | CACNA1B (0.57) | HDAC1HDAC3NCOR2HDAC2NPC1 | |
| SCHEMBL2107774 | 0.80 | HDAC1 (0.61) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL2886460 | 0.80 | HDAC1 (0.76) | HDAC1HDAC3NCOR2HDAC2HDAC8 | |
| Bicarbonate SCHEMBL2109328 | 0.79 | HDAC1 (0.60) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL2107673 | 0.78 | NPC1 (0.42) | HDAC1HDAC3NCOR2HDAC2NPC1 | |
| SCHEMBL1754073 | 0.77 | HDAC1 (1.00) | HDAC1HDAC3NCOR2HDAC2HDAC4 | |
| SCHEMBL1753684 | 0.77 | HDAC1 (0.65) | HDAC1HDAC3NCOR2HDAC2HDAC4 | |
| SCHEMBL20657015 | 0.77 | HDAC1 (0.46) | HDAC1HDAC3NCOR2HDAC2NPC1 | |
| SCHEMBL5031017 | 0.73 | HDAC1 (0.69) | HDAC1HDAC3NCOR2HDAC2LMNA |
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-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |