Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | STAT6 | P42226 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MT-CO2 | P00403 | 2/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9636719 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL3593084 | 0.87 | ALDH1A1 (0.55) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL28431888 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009424 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009314 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009426 | 0.81 | ALDH1A1 (0.53) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009317 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009304 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL18009224 | 0.81 | ALDH1A1 (0.48) | ALDH1A1GAAHPGDCYP1A2CYP3A4 | |
| SCHEMBL2273021 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GAAHPGDCYP1A2CYP3A4 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0716081-B1 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER HEALTHCARE AG (DE) | 2006-04-05 | — | — | EP | disclosed |
| EP-0716081-B1 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER HEALTHCARE AG (DE) | 2006-04-05 | — | — | EP | disclosed |
| EP-1443043-A2 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | Bayer HealthCare AG (DE) | 2004-08-04 | — | — | EP | disclosed |
| US-RE36607-E | Pyrrolidine compounds and process of preparing | BAYER AKTIENGESELLSCHAFT (DE) | 2000-03-07 | — | — | US | disclosed |
| US-5910593-A | Highly selective process for the preparation of enantiomerically pure phenylsubstituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1999-06-08 | — | — | US | disclosed |
| US-5849924-A | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AKTIENGESELLSCAHFT (DE) | 1998-12-15 | — | — | US | disclosed |
| US-5700948-A | CALCIUM ANTAGONISTS | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-23 | — | — | US | disclosed |
| EP-0716081-A1 | Highly selective process for the preparation of enantiomerically pure phenyl-substituted 1,4-dihydropyridine-3,5-dicarboxylic acid derivatives | BAYER AG (DE) | 1996-06-12 | — | — | EP | disclosed |