Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 5/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.50 |
| ▸ | DPP4 | P27487 | 2/20 | 0.47 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.47 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.45 |
| ▸ | FAP | Q12884 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048097 | 1.00 | CACNA1B (0.55) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| Hydrochloric Acid SCHEMBL3041722 | 0.99 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| Trifluoroacetic Acid SCHEMBL3032929 | 0.98 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| SCHEMBL13221557 | 0.95 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| Trifluoroacetic Acid SCHEMBL3032237 | 0.95 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| Trifluoroacetic Acid SCHEMBL3128776 | 0.91 | CACNA1B (0.47) | CACNA1BCYP3A4NR1I2OPRD1DPP4 | |
| SCHEMBL3042698 | 0.90 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL3035933 | 0.90 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL3133139 | 0.90 | CACNA1B (0.56) | CACNA1BCYP3A4NR1I2SMYD3KMT2A | |
| SCHEMBL3136630 | 0.86 | CACNA1B (0.54) | CACNA1BCYP3A4NR1I2OPRK1F2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205083-B1 | Substituted aryl sulfone derivatives as calcium channel blockers | MERCK SHARP & DOHME (US) | 2013-07-17 | — | — | EP | claimed |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2013-02-14 | — | — | US | disclosed |
| US-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | NEUROMED PHARMACEUTICALS LTD. (CA) | 2013-02-14 | — | — | 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-20130040932-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | TRPV1, TRPA1, CACNA1D | CACNA1B 23/4885CYP3A4 939/4885NR1I2 765/4885 |
“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.