Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL8825606 | 0.79 | PGR (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736640 | 0.79 | PGR (0.49) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL6258236 | 0.77 | PGR (0.47) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL756321 | 0.75 | PGR (0.45) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL317620 | 0.73 | PGR (0.44) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL11114205 | 0.73 | PGR (0.44) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL3469756 | 0.73 | PGR (0.44) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736656 | 0.72 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL2736655 | 0.72 | L3MBTL1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL14665678 | 0.72 | PGR (0.53) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906300-B1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | MERCK & CO INC (US) | 2002-01-16 | — | — | EP | disclosed |
| EP-0906300-A1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | Merck & Co., Inc. (US) | 1999-04-07 | — | — | EP | disclosed |
| WO-1997045420-A1 | PROCESS FOR MAKING PHENYL HETEROCYCLES USEFUL AS COX-2 INHIBITORS | MERCK & CO., INC. (US) | 1997-12-04 | — | — | WO | disclosed |