Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | TCF7L2 | Q9NQB0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1639961 | 0.82 | DGAT1 (0.49) | DGAT1KMT2ALMNAMEN1ALDH1A1 | |
| SCHEMBL8241591 | 0.76 | DGAT1 (0.53) | DGAT1KMT2ALMNAALDH1A1ADORA3 | |
| SCHEMBL4720338 | 0.76 | KCNQ3 (0.47) | KMT2ALMNAMEN1ALDH1A1L3MBTL1 | |
| SCHEMBL1640896 | 0.75 | DGAT1 (0.52) | DGAT1KMT2ALMNAMEN1ALDH1A1 | |
| SCHEMBL4762347 | 0.72 | NPC1 (0.39) | ALDH1A1ADORA3L3MBTL1RAB9AMAPT | |
| SCHEMBL8168949 | 0.72 | DGAT1 (0.48) | DGAT1KMT2ALMNAALDH1A1ADORA3 | |
| SCHEMBL4720105 | 0.70 | HDAC1 (0.45) | — | |
| SCHEMBL1639194 | 0.68 | KCNQ3 (0.46) | DGAT1KMT2ALMNAMEN1ALDH1A1 | |
| SCHEMBL2434919 | 0.67 | ADORA3 (0.42) | LMNAADORA3MAPT | |
| SCHEMBL2442354 | 0.66 | CACNA1B (0.47) | KMT2ALMNAMEN1ALDH1A1ADORA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1954698-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061880-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |