Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 8/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9772331 | 0.87 | PGR (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL6550974 | 0.82 | HSD11B1 (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL317620 | 0.77 | PGR (0.44) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL337276 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL10489465 | 0.76 | PGR (0.58) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736656 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2128162 | 0.76 | PGR (0.58) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL14665678 | 0.76 | PGR (0.53) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736655 | 0.76 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL9323588 | 0.75 | PGR (0.52) | PGRADRA2AADRA2BHTR2AHRH1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6080876-A | REACTING THIOANISOLE WITH AN ACYL CHLORIDE IN THE PRESENCE OF A LEWIS ACID AND A SOLVENT, SULFONATION, EPOXIDATION, ESTERIFICATION, DECYCLIZATION AND CYCLIZATION; FORMING A POTENT CYCLOOXYGENASE-2 INHIBITORS | MERCK & CO., INC. (US) | 2000-06-27 | — | — | US | disclosed |