Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.70 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.70 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.70 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.70 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.70 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.70 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9502956 | 0.99 | CYP2C9 (0.69) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL9502320 | 0.91 | CYP2C9 (0.73) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| Hydrochloric Acid SCHEMBL9502260 | 0.90 | CYP2C9 (0.71) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL11373533 | 0.86 | CYP2C9 (0.80) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL9503051 | 0.86 | KDM4E (0.80) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL9501593 | 0.85 | KDM4E (0.85) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL7273114 | 0.84 | KDM4E (0.83) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL10370006 | 0.84 | CYP2C9 (0.83) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| SCHEMBL11357080 | 0.84 | CYP2C9 (0.83) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R | |
| Felodipine SCHEMBL920025 | 0.83 | CYP2C9 (1.00) | CYP2C9CYP3A4ABCB11KDM4ETBXA2R |
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-0458823-B1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1993-10-13 | — | — | EP | disclosed |
| US-5245039-A | PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA (IT) | 1993-09-14 | — | — | US | disclosed |
| WO-1990009376-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-23 | — | — | WO | disclosed |
| EP-0383320-A1 | A process for preparation of enantiomerically pure polysubstituted 1,4-dihydropyridines | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1990-08-22 | — | — | EP | disclosed |