Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4276631 | 0.82 | CES2 (0.50) | CES2CES1CYP2D6SRCDPP4 | |
| SCHEMBL420435 | 0.77 | — | — | |
| SCHEMBL4282482 | 0.74 | CES2 (0.44) | CES2CES1CYP2D6SRCDPP4 | |
| Hydrochloric Acid SCHEMBL28689038 | 0.74 | CES2 (0.44) | CES2CES1CYP2D6SRCDPP4 | |
| SCHEMBL11212730 | 0.74 | CES2 (0.44) | CES2CES1CYP2D6SRCDPP4 | |
| Hydrochloric Acid SCHEMBL28033934 | 0.73 | DPP4 (0.45) | CYP2D6SRCDPP4TSHRF2 | |
| SCHEMBL6957921 | 0.72 | TSHR (0.52) | CES2CES1CYP2D6SRCDPP4 | |
| SCHEMBL28275251 | 0.72 | CES2 (0.42) | CES2CES1CYP2D6SRCDPP4 | |
| SCHEMBL3381285 | 0.72 | TAAR1 (0.44) | CES2CES1CYP2D6SRCTSHR | |
| SCHEMBL7460838 | 0.71 | DPP4 (0.43) | CYP2D6SRCDPP4TSHRF2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |