Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CACNA1S | Q13698 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.63 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.63 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.63 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.63 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.63 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.63 |
| ▸ | HRH2 | P25021 | 1/20 | 0.63 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.63 |
| ▸ | SCN1A | P35498 | 1/20 | 0.63 |
| ▸ | SCN4A | P35499 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.63 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.63 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.63 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.63 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.63 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL11062365 | 1.00 | CYP3A4 (0.63) | CYP3A4CACNA1STSHRABCB11LMNA | |
| SCHEMBL9284029 | 0.87 | CYP3A4 (0.61) | CYP3A4CACNA1STSHRABCB11LMNA | |
| Hydrochloric Acid SCHEMBL9332000 | 0.86 | CYP3A4 (0.67) | CYP3A4CACNA1STSHRABCB11LMNA | |
| SCHEMBL11061859 | 0.82 | CACNA1S (0.43) | CYP3A4CACNA1STSHRABCB11LMNA | |
| SCHEMBL11061884 | 0.82 | CACNA1S (0.43) | CYP3A4CACNA1STSHRABCB11LMNA | |
| SCHEMBL7485292 | 0.81 | CYP3A4 (0.63) | CYP3A4CACNA1STSHRABCB11LMNA | |
| SCHEMBL10814300 | 0.79 | CYP3A4 (0.68) | CYP3A4CACNA1STSHRABCB11LMNA | |
| Diltiazem SCHEMBL614334 | 0.77 | CACNA1S (1.00) | CYP3A4CACNA1STSHRABCB11LMNA | |
| Diltiazem SCHEMBL676914 | 0.77 | CACNA1S (1.00) | CYP3A4CACNA1STSHRABCB11LMNA | |
| Diltiazem SCHEMBL4886734 | 0.77 | CACNA1S (1.00) | CYP3A4CACNA1STSHRABCB11LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-59104372-A | — | — | None | — | — | JP | disclosed |
| JP-S59104372-A | NOVEL PREPARATION OF BENZOTHIAZEPINE DERIVATIVE | TANABE SEIYAKU CO LTD | 1984-06-16 | — | — | JP | disclosed |