Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 12/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.61 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.61 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | HRH2 | P25021 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | SCN1A | P35498 | 1/20 | 0.61 |
| ▸ | SCN4A | P35499 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.61 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.61 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.61 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.61 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.61 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL10718635 | 1.00 | CACNA1S (0.61) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7407911 | 0.99 | CYP3A4 (0.61) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7346967 | 0.92 | CACNA1S (0.72) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7413659 | 0.92 | CACNA1S (0.72) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7346971 | 0.92 | CACNA1S (0.72) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL30357977 | 0.91 | CYP3A4 (0.73) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7410428 | 0.91 | CYP3A4 (0.73) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7409376 | 0.91 | CACNA1S (0.61) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7412129 | 0.91 | CYP3A4 (0.73) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7412151 | 0.89 | CACNA1S (0.65) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0234561-A2 | 2,3-Dihydro-2-phenyl-5-aminoalkyl-naphtho [1,2-b]-1,4-thiazepin-4(5H)-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-02 | — | — | EP | claimed |
| EP-0234561-A2 | 2,3-Dihydro-2-phenyl-5-aminoalkyl-naphtho [1,2-b]-1,4-thiazepin-4(5H)-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-09-02 | — | — | EP | disclosed |
| US-4652561-A | HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | disclosed |