Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 9/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | HRH2 | P25021 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | SCN1A | P35498 | 1/20 | 0.43 |
| ▸ | SCN4A | P35499 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.43 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.43 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11061859 | 1.00 | CACNA1S (0.43) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL11062365 | 0.82 | CYP3A4 (0.63) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL11062363 | 0.82 | CYP3A4 (0.63) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL8485995 | 0.69 | FPR2 (0.46) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL9284029 | 0.69 | CYP3A4 (0.61) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| Hydrochloric Acid SCHEMBL9332000 | 0.67 | CYP3A4 (0.67) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL11056478 | 0.66 | GSK3B (0.44) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| Maleic Acid SCHEMBL7590970 | 0.64 | CACNA1S (0.63) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| Fumaric Acid SCHEMBL7591009 | 0.64 | CACNA1S (0.63) | CACNA1SCYP3A4ABCB1TSHRABCB11 | |
| SCHEMBL7485292 | 0.62 | CYP3A4 (0.63) | CACNA1SCYP3A4ABCB1TSHRABCB11 |
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-59104373-A | — | — | None | — | — | JP | disclosed |
| JP-S59104373-A | NOVEL PREPARATION OF BENZOTHIAZEPINE DERIVATIVE | TANABE SEIYAKU CO LTD | 1984-06-16 | — | — | JP | disclosed |