Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PYGM | P11217 | 2/20 | 0.43 |
| ▸ | PYGL | P06737 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 8/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16178523 | 0.80 | KDM4E (0.66) | KDM4EGAAPYGMPYGLPOLB | |
| SCHEMBL8511172 | 0.74 | CYP2C9 (0.45) | KDM4EGAAPYGMPYGLADORA3 | |
| SCHEMBL9836397 | 0.73 | NOTUM (0.45) | KDM4EGAAPYGMPYGLPOLB | |
| SCHEMBL9033367 | 0.72 | PYGM (0.52) | KDM4EGAAPYGMPYGLSIRT3 | |
| SCHEMBL5461012 | 0.72 | NR3C2 (0.42) | KDM4EGAAPYGMPYGLADORA3 | |
| SCHEMBL7410687 | 0.71 | CACNA1B (0.61) | GAAPOLBADORA3CACNA1BMEN1 | |
| SCHEMBL11008635 | 0.70 | KDM4E (0.54) | KDM4EGAAPYGMPYGLPOLB | |
| SCHEMBL10445960 | 0.70 | KDM4E (0.43) | KDM4EGAAPYGMPYGLSIRT3 | |
| SCHEMBL9837158 | 0.69 | PYGM (0.46) | KDM4EGAAPYGMPYGLSIRT3 | |
| SCHEMBL16178581 | 0.68 | TSHR (0.53) | KDM4EGAALMNAMEN1HPGD |
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 |