Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of P-Toluenesulfonamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 12/20 | 0.78 |
| ▸ | CA12 | O43570 | 11/20 | 0.78 |
| ▸ | CA1 | P00915 | 11/20 | 0.78 |
| ▸ | CA9 | Q16790 | 11/20 | 0.78 |
| ▸ | CA6 | P23280 | 3/20 | 0.78 |
| ▸ | CA5A | P35218 | 3/20 | 0.78 |
| ▸ | CA7 | P43166 | 3/20 | 0.78 |
| ▸ | CA3 | P07451 | 2/20 | 0.78 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.78 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.56 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| P-Toluenesulfonamide SCHEMBL8416899 | 0.93 | CA2 (0.82) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL27585147 | 0.89 | CA2 (0.82) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL1331323 | 0.89 | CA2 (1.00) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL7370 | 0.89 | CA2 (1.00) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL31527821 | 0.89 | CA2 (1.00) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL8376384 | 0.86 | CA2 (0.95) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL15401330 | 0.86 | CA2 (0.95) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL8070437 | 0.86 | CA2 (0.95) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL391243 | 0.86 | CA2 (0.95) | CA2CA12CA1CA9CA6 | |
| P-Toluenesulfonamide SCHEMBL9377640 | 0.86 | CA2 (0.95) | CA2CA12CA1CA9CA6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1812073-A1 | DELIVERY SYSTEM FOR TOPICALLY APPLIED COMPOUNDS | LIPO CHEMICALS INC (US) | 2007-08-01 | — | — | EP | claimed |
| WO-2006036557-A1 | DELIVERY SYSTEM FOR TOPICALLY APPLIED COMPOUNDS | LIPO CHEMICALS, INC. (US) | 2006-04-06 | — | — | WO | claimed |
| EP-1140033-A2 | IMPROVED CONTROLLED RELEASE COMPOSITIONS AND METHOD | AMCOL INTERNATIONAL CORPORATION (US) | 2001-10-10 | — | — | EP | claimed |
| WO-2000041528-A9 | IMPROVED CONTROLLED RELEASE COMPOSITIONS AND METHOD | AMCOL INTERNATIONAL CORP (US) | 2001-07-12 | — | — | WO | claimed |
| WO-2000041528-A2 | IMPROVED CONTROLLED RELEASE COMPOSITIONS AND METHOD | AMCOL INTERNATIONAL CORPORATION (US) | 2000-07-20 | — | — | WO | claimed |
| EP-1663239-A4 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS SINAI MEDICAL CENTER (US) | 2008-07-23 | — | — | EP | disclosed |
| EP-1663239-A2 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS-SINAI MEDICAL CENTER (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005025511-A2 | POTASSIUM CHANNEL MEDIATED DELIVERY OF AGENTS THROUGH THE BLOOD-BRAIN BARRIER | CEDARS-SINAI MEDICAL CENTER (US) | 2005-03-24 | — | — | WO | disclosed |