Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 8/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3834036 | 0.83 | — | — | |
| SCHEMBL3645353 | 0.82 | — | — | |
| SCHEMBL4816063 | 0.80 | CES1 (0.39) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL18213897 | 0.78 | CES1 (0.38) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL12320796 | 0.76 | FAAH (0.45) | CES1CES2HDAC3HDAC1HDAC2 | |
| SCHEMBL22234947 | 0.75 | — | — | |
| SCHEMBL1013617 | 0.75 | MCL1 (0.41) | — | |
| SCHEMBL16823418 | 0.75 | — | — | |
| SCHEMBL4085921 | 0.75 | LDHA (0.38) | FFAR3TSHR | |
| SCHEMBL126264 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7358382-B2 | Protected 3,5-dihydroxy-2,2-dimethyl-valeronitriles for the synthesis of epothilones and epothilone derivatives and process for the production | BAYER SCHERING PHARMA AG (DE) | 2008-04-15 | — | — | US | disclosed |
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | disclosed |