Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2146295 | 0.89 | HSD11B1 (0.50) | CES2CES1CYP2C9CYP2C19PARP1 | |
| SCHEMBL11620780 | 0.85 | HSD11B1 (0.56) | CES2CES1CYP2C9CYP2C19PARP1 | |
| SCHEMBL3957507 | 0.85 | CDK5 (0.47) | CES2CES1CYP2C9CYP2C19PARP1 | |
| SCHEMBL12023170 | 0.85 | CDK5 (0.47) | CES2CES1CYP2C9CYP2C19PARP1 | |
| Hydrochloric Acid SCHEMBL5476502 | 0.84 | CDK5 (0.47) | CES2CES1CYP2C9CYP2C19PARP1 | |
| Hydrochloric Acid SCHEMBL5476506 | 0.84 | CDK5 (0.47) | CES2CES1CYP2C9CYP2C19PARP1 | |
| Hydrochloric Acid SCHEMBL15566694 | 0.83 | KMT2A (0.55) | CES2CES1CYP2C9CYP2C19PARP1 | |
| SCHEMBL1528775 | 0.82 | CES2 (0.46) | CES2CES1HSD11B1MEN1KMT2A | |
| SCHEMBL23579339 | 0.81 | HSD11B1 (0.58) | CES2CES1CYP2C9CYP2C19PARP1 | |
| SCHEMBL29973506 | 0.81 | HSD11B1 (0.58) | CES2CES1CYP2C9CYP2C19PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012076063-A1 | PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS | ROTTAPHARM S.P.A. (IT) | 2012-06-14 | — | — | WO | disclosed |