Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 17/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.55 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.55 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.55 |
| ▸ | HRH2 | P25021 | 1/20 | 0.55 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.55 |
| ▸ | SCN1A | P35498 | 1/20 | 0.55 |
| ▸ | SCN4A | P35499 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.55 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.55 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.55 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.55 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.55 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7282123 | 1.00 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7291811 | 1.00 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10682380 | 0.95 | CACNA1S (0.90) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7284847 | 0.95 | CACNA1S (0.90) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10682385 | 0.95 | CACNA1S (0.90) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7285313 | 0.93 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7285308 | 0.93 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7284298 | 0.92 | CACNA1S (0.88) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7284286 | 0.92 | CACNA1S (0.88) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7284293 | 0.92 | CACNA1S (0.88) | CACNA1SCYP3A4TSHRABCB11LMNA |
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-4748239-A | VASODILATORS | E. R. SQUIBB & SONS, INC. (US) | 1988-05-31 | — | — | US | disclosed |
| EP-0205334-A2 | Benzazepine derivatives | E.R. Squibb & Sons, Inc. (US) | 1986-12-17 | — | — | EP | disclosed |