Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diltiazem. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1S known ✓ | Q13698 | 10/20 | 0.62 |
| ▸ | CACNA1C known ✓ | Q13936 | 5/20 | 0.62 |
| ▸ | CACNA1F known ✓ | O60840 | 4/20 | 0.62 |
| ▸ | CACNA1D known ✓ | Q01668 | 4/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.62 |
| ▸ | ABCB11 | O95342 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.62 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | SCN1A | P35498 | 3/20 | 0.62 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.62 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.62 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.62 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.62 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.62 |
| ▸ | SCN4A | P35499 | 2/20 | 0.62 |
| ▸ | SCN7A | Q01118 | 2/20 | 0.62 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.62 |
| ▸ | SCN11A | Q9UI33 | 2/20 | 0.62 |
| ▸ | SCN8A | Q9UQD0 | 2/20 | 0.62 |
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 | |
|---|---|---|---|---|
| Diltiazem SCHEMBL7859531 | 0.95 | CACNA1S (0.69) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL8808840 | 0.84 | CACNA1S (0.52) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL9069266 | 0.83 | CYP3A4 (0.63) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| SCHEMBL11117127 | 0.80 | CACNA1S (0.72) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| SCHEMBL11001240 | 0.80 | CACNA1S (0.72) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Nicardipine SCHEMBL3972892 | 0.79 | CYP3A4 (0.63) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL5712542 | 0.79 | CYP3A4 (0.90) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL3468378 | 0.79 | CACNA1S (1.00) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL614334 | 0.79 | CACNA1S (1.00) | CACNA1SCACNA1CCYP3A4ABCB11LMNA | |
| Diltiazem SCHEMBL4886734 | 0.79 | CACNA1S (1.00) | CACNA1SCACNA1CCYP3A4ABCB11LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6723744-B2 | FOR THERAPY OF OBESITY, OVERWEIGHT CONDITION, HYPERLIPIDEMIA, GLAUCOMA, CARDIAC ARRHYTHMIAS, SKIN DISORDER, THYROID DISEASE, HYPOTHYROIDISM, THYROID CANCER, DIABETES, ATHEROSCLEROSIS, HYPERTENSION, CORONARY HEART DISEASE, HYPERCHOLESTEREMIA | PFIZER, INC. | 2004-04-20 | — | — | US | disclosed |
| US-20030078289-A1 | Indole carboxylic acids as thyroid receptor ligands | ASPNES GARY E (US) | 2003-04-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030078289-A1 | Indole carboxylic acids as thyroid receptor ligands | THRA, MC1R, THRB | CACNA1S 1459/4885CACNA1C 1737/4885CACNA1F 1175/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.