Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.78 |
| ▸ | CA9 | Q16790 | 10/20 | 0.78 |
| ▸ | CA12 | O43570 | 9/20 | 0.78 |
| ▸ | CA1 | P00915 | 8/20 | 0.78 |
| ▸ | CA7 | P43166 | 3/20 | 0.78 |
| ▸ | CA6 | P23280 | 2/20 | 0.78 |
| ▸ | CA5A | P35218 | 2/20 | 0.78 |
| ▸ | CA3 | P07451 | 1/20 | 0.78 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.78 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | NT5E | P21589 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Benzenesulfonamide SCHEMBL28055374 | 0.92 | CA1 (0.67) | CA2CA9CA12CA1CA7 | |
| Methanesulfonamide SCHEMBL6183396 | 0.89 | CA1 (0.60) | CA2CA9CA12CA1CA7 | |
| Methylamine SCHEMBL4135110 | 0.89 | ALDH1A1 (0.58) | CA2CA9CA12CA1CA7 | |
| Hydrazine SCHEMBL8861759 | 0.89 | ALDH1A1 (0.58) | CA2CA9CA12CA1CA7 | |
| Hydroxyamine SCHEMBL599912 | 0.89 | ALDH1A1 (0.58) | CA2CA9CA12CA1CA7 | |
| SCHEMBL1705904 | 0.89 | GAA (0.62) | CA2CA9CA12CA1CA7 | |
| SCHEMBL31313 | 0.89 | GAA (0.62) | CA2CA9CA12CA1CA7 | |
| P-Xylene SCHEMBL8660591 | 0.89 | GAA (0.62) | CA2CA9CA12CA1CA7 | |
| SCHEMBL34 | 0.89 | GAA (0.62) | CA2CA9CA12CA1CA7 | |
| SCHEMBL11432043 | 0.89 | GAA (0.62) | CA2CA9CA12CA1CA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113549025-A | Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4, 7-triacetic acid and sodium salt thereof | 江苏美迪克化学品有限公司 | 2021-10-26 | — | — | CN | claimed |
| CN-113549025-A | Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4, 7-triacetic acid and sodium salt thereof | 江苏美迪克化学品有限公司 | 2021-10-26 | — | — | CN | disclosed |
| EP-1326606-A2 | EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS | PFIZER PHARMACEUTICALS INC. (JP) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032422-A2 | EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS | PFIZER PHARMACEUTICALS INC. (JP) | 2002-04-25 | — | — | WO | disclosed |