Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S | Q13698 | 7/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 2/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.66 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.66 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.66 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.66 |
| ▸ | HRH2 | P25021 | 1/20 | 0.66 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.66 |
| ▸ | SCN1A | P35498 | 1/20 | 0.66 |
| ▸ | SCN4A | P35499 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.66 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.66 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.66 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.66 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.66 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.66 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL20957591 | 1.00 | CACNA1S (0.66) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL7379847 | 0.89 | CACNA1S (0.57) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10608450 | 0.87 | CACNA1S (0.57) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL9232281 | 0.85 | CACNA1S (0.50) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL28517540 | 0.80 | CYP3A4 (0.52) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| SCHEMBL10506661 | 0.80 | CACNA1S (0.47) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Diltiazem SCHEMBL676914 | 0.79 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Diltiazem SCHEMBL4886734 | 0.79 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Diltiazem SCHEMBL3468378 | 0.79 | CACNA1S (1.00) | CACNA1SCYP3A4TSHRABCB11LMNA | |
| Diltiazem SCHEMBL614334 | 0.79 | CACNA1S (1.00) | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0347987-A2 | Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups | MERCK & CO. INC. (US) | 1989-12-27 | — | — | EP | claimed |
| EP-0314239-A2 | Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | claimed |
| EP-0312291-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | claimed |
| WO-1991019499-A1 | N-DESMETHYL - DEACETYL DILTIAZEM FOR USE IN REDUCING HYPERTENSION | DUMONT LOUIS (CA) | 1991-12-26 | — | — | WO | disclosed |
| EP-0347987-A2 | Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups | MERCK & CO. INC. (US) | 1989-12-27 | — | — | EP | disclosed |
| EP-0314239-A2 | Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups | MERCK & CO. INC. (US) | 1989-05-03 | — | — | EP | disclosed |
| EP-0312291-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0312157-A2 | Tetrapeptide renin inhibitors having a novel c-terminal amino acid | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0312158-A2 | Tetrapeptide renin inhibitors having novel c-terminal amino acid amide | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |
| EP-0312283-A2 | Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA | MERCK & CO. INC. (US) | 1989-04-19 | — | — | EP | disclosed |