Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 15/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.53 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | HRH2 | P25021 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | SCN4A | P35499 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.53 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.53 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.53 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.53 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.53 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7341332 | 1.00 | CACNA1S (0.55) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7408217 | 1.00 | CACNA1S (0.55) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7407218 | 0.99 | CACNA1S (0.55) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7410583 | 0.99 | CACNA1S (0.55) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7412147 | 0.95 | CACNA1S (0.49) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Cadaverine Tartrate SCHEMBL7413552 | 0.94 | CACNA1S (0.50) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7404446 | 0.94 | CACNA1S (0.49) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7408989 | 0.91 | CACNA1S (0.45) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10721502 | 0.91 | CACNA1S (0.45) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL7413995 | 0.90 | CACNA1S (0.44) | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4808580-A | Naphtho[1,2-b][1,4]thiazepin-4(5H)-ones and use thereof in treatment of ischemia and blood pressure lowering | HOFFMANN-LA ROCHE INC. (US) | 1989-02-28 | — | — | US | 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 | claimed |
| US-4652561-A | HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | claimed |
| US-5225557-A | Process for making optically active naphtho[1,2-b]thiazepin-4(5H)-ones | HOFFMANN-LA ROCHE INC. (US) | 1993-07-06 | — | — | US | disclosed |
| US-4996352-A | Hypotensive, antiischemic agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-26 | — | — | US | disclosed |
| US-4912102-A | Calcium antagonist activity | HOFFMANN-LA ROCHE INC. (US) | 1990-03-27 | — | — | US | disclosed |
| US-4864058-A | Process for making optically active naphtho[1,2-b][1,4]thiazepin-4(5H)-ones | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0326906-A1 | 3-Acyloxy-5-aminoalkyl-2,3-dihydro-2-phenyl-naphtho[1,2-b][1,4]thiazepin-4(5H)-one derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-08-09 | — | — | EP | disclosed |
| 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 |