Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.73 |
| ▸ | HIF1A | Q16665 | 5/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.69 |
| ▸ | MEN1 | O00255 | 4/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | MAPT | P10636 | 3/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.69 |
| ▸ | THPO | P40225 | 2/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.69 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL3026966 | 0.95 | ABCC1 (0.71) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL7349302 | 0.91 | ADORA3 (0.64) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL7266484 | 0.90 | CACNA1B (0.73) | ADORA3ABCC1CACNA1BCACNA1FCACNA1D | |
| SCHEMBL27412226 | 0.90 | CACNA1B (0.61) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL9085895 | 0.89 | CACNA1B (0.57) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL9501260 | 0.88 | ADORA3 (0.57) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL9442779 | 0.88 | CACNA1B (0.64) | ADORA3ABCC1CACNA1BCACNA1FCACNA1D | |
| SCHEMBL11771568 | 0.88 | ABCC1 (0.61) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL11526085 | 0.88 | ABCC1 (0.61) | ADORA3HIF1ACYP2C9MEN1CYP1A2 | |
| SCHEMBL7267420 | 0.88 | CACNA1B (0.68) | ADORA3CACNA1B |
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 5 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 |
| EP-0458823-A1 | A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES. | BOEHRINGER MANNHEIM ITALIA (IT) | 1991-12-04 | — | — | EP | 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 |