Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9847685 | 0.80 | CACNA1F (0.40) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL9847680 | 0.78 | LMNA (0.40) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL9827844 | 0.77 | CACNA1C (0.43) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL27671464 | 0.73 | CACNA1F (0.42) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL5537883 | 0.71 | LMNA (0.41) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL2781022 | 0.71 | CACNA1C (0.48) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL9433626 | 0.70 | KDM4E (0.41) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL9668516 | 0.70 | LMNA (0.44) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL10469171 | 0.70 | CYP1A2 (0.58) | CACNA1FCACNA1DCACNA1SCACNA1CADORA3 | |
| SCHEMBL7420768 | 0.69 | CACNA1F (0.54) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4975437-A | Cardiotonic agent | MARION LABORATORIES, INC. (US) | 1990-12-04 | — | — | US | disclosed |