Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | SCD | O00767 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | PHGDH | O43175 | 3/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2108677 | 0.77 | HDAC1 (0.67) | HDAC3HDAC1HDAC2HDAC8SCD | |
| SCHEMBL16892942 | 0.73 | ALDH1A1 (0.51) | ADORA3RAB9AMAPTKDM4ENPC1 | |
| SCHEMBL23674562 | 0.72 | SCD (0.84) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL1270375 | 0.71 | SCD (0.89) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL31265595 | 0.71 | PARP1 (0.74) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL233522 | 0.71 | SCD (0.78) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL13206963 | 0.71 | SCD (0.82) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL8349704 | 0.70 | HDAC1 (0.87) | HDAC3HDAC1HDAC2HDAC8RAB9A | |
| SCHEMBL16562127 | 0.70 | SCD (1.00) | SCDPARP1PHGDHADORA3RAB9A | |
| SCHEMBL1065242 | 0.69 | HDAC1 (0.85) | HDAC3HDAC1HDAC2HDAC8 |
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-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | claimed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | claimed |