Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | CES1 | P23141 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5595475 | 1.00 | PRSS1 (0.47) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL13811105 | 0.84 | KDM4E (0.51) | ALDH1A1KDM4EHPGDCYP2C19HSD17B10 | |
| SCHEMBL13811104 | 0.80 | ALDH1A1 (0.39) | CES2CES1ALDH1A1KDM4EMAPT | |
| SCHEMBL2091071 | 0.79 | CA1 (0.54) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL8742243 | 0.78 | LMNA (0.38) | CES2CES1ALDH1A1MAPTHPGD | |
| SCHEMBL13245881 | 0.78 | LMNA (0.38) | CES2CES1ALDH1A1MAPTHPGD | |
| SCHEMBL817341 | 0.78 | TSHR (0.35) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL4442135 | 0.78 | TSHR (0.35) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL5595601 | 0.78 | TSHR (0.35) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL23152625 | 0.76 | SMN1; SMN2 (0.42) | ALDH1A1KDM4EMAPTHPGDSMN1; SMN2 |
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 4 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 |
| US-20040087437-A1 | CHIRAL LEAD CATALYST AND METHOD OF ASYMMETRIC ALDOL REACTION | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2004-05-06 | — | — | 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 |