Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1F | O60840 | 9/20 | 0.62 |
| ▸ | CACNA1D | Q01668 | 9/20 | 0.62 |
| ▸ | CACNA1S | Q13698 | 9/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 9/20 | 0.62 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.62 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.60 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | THPO | P40225 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272316 | 1.00 | CACNA1F (0.62) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL3940339 | 0.92 | CACNA1F (0.71) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL3032197 | 0.92 | CACNA1F (0.71) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| Hydrochloric Acid SCHEMBL9374064 | 0.91 | CACNA1F (0.70) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| Hydrochloric Acid SCHEMBL9805019 | 0.91 | CACNA1F (0.70) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| Hydrochloric Acid SCHEMBL9805027 | 0.91 | CACNA1F (0.70) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| Hydrochloric Acid SCHEMBL9374052 | 0.91 | CACNA1F (0.70) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| Oxalic Acid SCHEMBL9725491 | 0.90 | CACNA1F (0.68) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL28762620 | 0.89 | CACNA1B (0.51) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL9689742 | 0.88 | CACNA1F (0.61) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4270279-A | — | — | None | — | — | JP | disclosed |
| JP-H04270279-A | ISOMERS OF 1-AZABICYCLO(2,2,2,)OCT-3-YL 1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-5-NITROPYRIDINE-3-CARBOXYLATE | MARION MERRELL DOW INC | 1992-09-25 | — | — | JP | disclosed |
| EP-0432751-A2 | Isomers of 1-azabicyclo[2.2.2]oct-3-yl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-5-nitropyridine-3-carboxylate | MARION MERRELL DOW INC. (US) | 1991-06-19 | — | — | EP | disclosed |