Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | 9/20 | 0.50 |
| ▸ | CA9 | Q16790 | 9/20 | 0.50 |
| ▸ | CA1 | P00915 | 8/20 | 0.50 |
| ▸ | CA12 | O43570 | 5/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
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 SCHEMBL29412571 | 0.88 | CA2 (0.67) | CA2CA9CA1CA12CA7 | |
| P-Toluenesulfonamide SCHEMBL5701932 | 0.88 | CA2 (0.67) | CA2CA9CA1CA12CA7 | |
| SCHEMBL216825 | 0.88 | ALDH1A1 (0.49) | CA2CA9CA1CA12CA7 | |
| SCHEMBL29974495 | 0.88 | ALDH1A1 (0.49) | CA2CA9CA1CA12CA7 | |
| Water SCHEMBL5512181 | 0.86 | SMN1; SMN2 (0.47) | CA2CA1CYP2D6MAPK1SMN1; SMN2 | |
| SCHEMBL6036968 | 0.84 | CA2 (0.50) | CA2CA9CA1CA12CA7 | |
| O-Xylene SCHEMBL5134935 | 0.84 | SMN1; SMN2 (0.56) | CA2CA9CA1CA12CA7 | |
| O-Xylene SCHEMBL30856513 | 0.84 | SMN1; SMN2 (0.56) | CA2CA9CA1CA12CA7 | |
| Water SCHEMBL29825178 | 0.82 | CA2 (0.52) | CA2CA9CA1CA12CA7 | |
| SCHEMBL7369 | 0.82 | CA2 (0.56) | CA2CA9CA1CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |