Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 4/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CFTR | P13569 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22082175 | 0.79 | CES2 (0.42) | PTGS1NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL18291815 | 0.78 | ALDH1A1 (0.56) | NR4A1NR4A2NR4A3CES2KDM4E | |
| SCHEMBL18611579 | 0.78 | CES2 (0.44) | PTGS1NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL19139880 | 0.76 | CES2 (0.42) | PTGS1CES2KDM4EALDH1A1HPGD | |
| SCHEMBL27875939 | 0.75 | TP53 (0.44) | GAA | |
| SCHEMBL27520453 | 0.75 | NR4A1 (0.63) | PTGS1NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL14476277 | 0.75 | NR4A1 (0.63) | PTGS1NR4A1NR4A2NR4A3CES2 | |
| SCHEMBL424990 | 0.74 | RXRB (0.70) | CES2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3023134 | 0.74 | CES2 (0.53) | NR4A1NR4A2NR4A3CES2KDM4E | |
| SCHEMBL8301631 | 0.74 | RXRA (0.47) | CES2KDM4EALDH1A1HPGDHSD17B10 |
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-1632483-B1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMA INC (US) | 2008-10-29 | — | — | EP | disclosed |