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 | 4/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.43 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL27592780 | 0.89 | PGR (0.47) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL10345706 | 0.81 | LMNA (0.53) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL5595329 | 0.80 | SLC6A2 (0.50) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL13039632 | 0.80 | LMNA (0.56) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL268856 | 0.79 | MDM2 (0.57) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL8094352 | 0.79 | PGR (0.52) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL22163778 | 0.78 | LMNA (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL31513113 | 0.78 | CES1 (0.54) | PGRADRA2AADRA2BHTR2AHRH1 | |
| Benzoic Acid SCHEMBL4837055 | 0.78 | TSHR (0.52) | PGRADRA2AADRA2BHTR2AHRH1 | |
| SCHEMBL15834920 | 0.78 | LMNA (0.55) | 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-1203616-B1 | CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION | JAPAN SCIENCE & TECH AGENCY (JP) | 2007-01-10 | — | — | EP | disclosed |
| US-6780812-B2 | SUCH AS LEAD TRIFLATE AND A CHIRAL CROWN ETHER COMPOUND | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2004-08-24 | — | — | US | disclosed |
| EP-1203616-A1 | CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION | Japan Science and Technology Corporation (JP) | 2002-05-08 | — | — | EP | disclosed |