Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | CACNA1F | O60840 | 5/20 | 0.62 |
| ▸ | CACNA1D | Q01668 | 5/20 | 0.62 |
| ▸ | CACNA1S | Q13698 | 5/20 | 0.62 |
| ▸ | CACNA1C | Q13936 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.50 |
| ▸ | KIF11 | P52732 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434638 | 0.84 | DHFR (0.55) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7432629 | 0.83 | CACNA1F (0.90) | CACNA1FCACNA1DCACNA1SCACNA1CTSHR | |
| SCHEMBL15156137 | 0.80 | ALDH1A1 (0.77) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL7428053 | 0.78 | ALDH1A1 (1.00) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL6347405 | 0.77 | CACNA1F (0.67) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL20610477 | 0.74 | ADORA3 (1.00) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL6338126 | 0.73 | CACNA1F (0.67) | CACNA1FCACNA1DCACNA1SCACNA1CTSHR | |
| SCHEMBL3027412 | 0.73 | ADORA3 (0.89) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL13561190 | 0.72 | ALDH1A1 (1.00) | ALDH1A1CACNA1FCACNA1DCACNA1SCACNA1C | |
| SCHEMBL28487208 | 0.72 | GPBAR1 (0.70) | ALDH1A1CACNA1DTSHRADORA3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-4675321-A | CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1987-06-23 | — | — | US | claimed |
| US-4675321-A | CARDIOVASCULAR DISORDERS | MERCK & CO., INC. (US) | 1987-06-23 | — | — | US | disclosed |