Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC1 | P33527 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.47 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.47 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.47 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9808332 | 0.88 | ABCC1 (0.48) | ABCC1LMNACACNA1DCACNA1FCACNA1S | |
| SCHEMBL7531635 | 0.86 | ADORA3 (0.62) | ALDH1A1TSHRNPSR1LMNACACNA1D | |
| SCHEMBL7471880 | 0.85 | ADORA3 (0.51) | ABCC1ALDH1A1KDM4ETSHRNPSR1 | |
| SCHEMBL7565090 | 0.84 | TBXA2R (0.57) | ALDH1A1KDM4ETSHRNPSR1HPGD | |
| SCHEMBL3030945 | 0.80 | ABCC1 (1.00) | ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL7423918 | 0.80 | CACNA1F (0.69) | TSHRLMNACACNA1DCACNA1FCACNA1S | |
| SCHEMBL11452241 | 0.77 | ABCC1 (0.74) | ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL7531629 | 0.77 | CACNA1C (0.56) | ALDH1A1KDM4ESMN1; SMN2TSHRHPGD | |
| SCHEMBL7475640 | 0.77 | HIF1A (0.71) | TSHRLMNACACNA1DCACNA1FCACNA1S | |
| SCHEMBL13216055 | 0.74 | ABCC1 (0.86) | ABCC1ALDH1A1KDM4ESMN1; SMN2TSHR |
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-0233228-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987000836-A1 | PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES | BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) | 1987-02-12 | — | — | WO | disclosed |