Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 known ✓ | P00918 | 3/20 | 0.35 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.35 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.33 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 3/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8968519 | 0.81 | KEAP1 (0.39) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL29084339 | 0.81 | TSHR (0.38) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL8968024 | 0.80 | KEAP1 (0.38) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL8209451 | 0.76 | ALDH1A1 (0.46) | ALDH1A1IDO1AGXTKEAP1HDAC1 | |
| Ammonia Solution, Strong SCHEMBL6386960 | 0.74 | ALDH1A1 (0.44) | ALDH1A1IDO1AGXTKEAP1HDAC1 | |
| SCHEMBL27659275 | 0.74 | ALDH1A1 (0.44) | ALDH1A1IDO1AGXTKEAP1HDAC1 | |
| SCHEMBL8967888 | 0.74 | ATM (0.49) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL865700 | 0.73 | ALDH1A1 (0.48) | ALDH1A1HTR2AIDO1AGXTKEAP1 | |
| SCHEMBL5559487 | 0.72 | GAA (0.41) | ALDH1A1CA2CA12CA1CA9 | |
| SCHEMBL31628255 | 0.72 | GAA (0.41) | ALDH1A1CA2CA12CA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-5504095-A | Aminobenzosultam derivatives as lipoxygenase inhibitors | PFIZER INC. (US) | 1996-04-02 | — | — | US | disclosed |
| EP-0549666-B1 | NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS | PFIZER (US) | 1994-11-23 | — | — | EP | disclosed |
| EP-0549666-A1 | NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. | PFIZER (US) | 1993-07-07 | — | — | EP | disclosed |
| WO-1992005164-A1 | NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS | PFIZER INC. (US) | 1992-04-02 | — | — | WO | disclosed |