Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 3/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 5/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5476542 | 0.90 | NFKB1 (0.39) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5489953 | 0.83 | TP53 (0.53) | TP53MAPT | |
| SCHEMBL3519769 | 0.79 | FDFT1 (0.47) | HDAC6NFKB1NFKB2RELA | |
| SCHEMBL3524280 | 0.76 | CNR1 (0.51) | NFKB1NFKB2RELA | |
| SCHEMBL5201159 | 0.76 | PKM (0.48) | TSHRHPGDMAPTNPC1RAB9A | |
| SCHEMBL5479926 | 0.75 | PRMT5 (0.42) | KCNA5PRMT5HPGDWDR77SMN1; SMN2 | |
| SCHEMBL5492414 | 0.74 | TP53 (0.43) | MEN1KMT2ATP53PRMT5TSHR | |
| SCHEMBL13059456 | 0.74 | HDAC6 (0.60) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL5200515 | 0.73 | MGLL (0.44) | MEN1KMT2ATP53HPGDSMN1; SMN2 | |
| SCHEMBL5205656 | 0.73 | SIGMAR1 (0.52) | HDAC4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | claimed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | claimed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | claimed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |