Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2195046 | 1.00 | GRM2 (0.44) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL2195008 | 1.00 | GRM2 (0.44) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL12417664 | 0.88 | KDM4E (0.41) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL12417665 | 0.88 | KDM4E (0.41) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL2191626 | 0.87 | AKR1C3 (0.40) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL2191377 | 0.87 | AKR1C3 (0.40) | GRM2HTTCYP3A4CACNA1BNR1I2 | |
| SCHEMBL2195921 | 0.85 | GRM5 (0.45) | GRM2CYP3A4CACNA1BNR1I2AKR1C3 | |
| SCHEMBL2195484 | 0.85 | GRM5 (0.45) | GRM2CYP3A4CACNA1BNR1I2AKR1C3 | |
| SCHEMBL2188962 | 0.79 | CYP3A4 (0.44) | HTTCYP3A4CACNA1BNR1I2CYP2D6 | |
| SCHEMBL2189687 | 0.79 | CYP3A4 (0.44) | HTTCYP3A4CACNA1BNR1I2CYP2D6 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2343977-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2011-07-20 | — | — | EP | claimed |
| US-20110172223-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | CHAKRAVARTY PRASUN K | 2011-07-14 | — | — | US | claimed |
| WO-2010036596-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. (US) | 2010-04-01 | — | — | WO | claimed |
| EP-2343977-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | Merck Sharp & Dohme Corp. (US) | 2011-07-20 | — | — | EP | disclosed |
| US-20110172223-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | CHAKRAVARTY PRASUN K | 2011-07-14 | — | — | US | disclosed |
| US-20110172223-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | CHAKRAVARTY PRASUN K | 2011-07-14 | — | — | US | disclosed |
| US-20110172223-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | CHAKRAVARTY PRASUN K | 2011-07-14 | — | — | US | disclosed |
| WO-2010036596-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010036596-A1 | SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS | MERCK SHARP & DOHME CORP. (US) | 2010-04-01 | — | — | WO | 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-20110172223-A1 | Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers | TRPV1, TRPA1, CACNA1D | GRM2 446/4885HTT 1972/4885CYP3A4 939/4885 |
“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.