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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.38 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.38 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA3 | P07451 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3229873 | 0.83 | LMNA (0.40) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| Ammonia Solution, Strong SCHEMBL5291514 | 0.81 | LMNA (0.39) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| SCHEMBL2920597 | 0.81 | CA2 (0.54) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| SCHEMBL5298071 | 0.81 | MAOB (0.39) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| SCHEMBL5044710 | 0.71 | ELANE (0.41) | SMN1; SMN2CA12CA2CA9CA1 | |
| SCHEMBL7002086 | 0.71 | LOXL2 (0.42) | SMN1; SMN2CA12CA2CA9CA1 | |
| SCHEMBL11919171 | 0.71 | PTGS1 (0.46) | SMN1; SMN2POLBPTGS2 | |
| SCHEMBL8772757 | 0.70 | ALDH1A1 (0.37) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| SCHEMBL3237955 | 0.70 | SMN1; SMN2 (0.77) | CYP3A4BLMSMN1; SMN2CA12CA2 | |
| SCHEMBL1027461 | 0.69 | SMN1; SMN2 (0.43) | SMN1; SMN2LMNAPOLBPTGS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007016209-A2 | PURE 1,2-BENZISOXAZOLE-3-METHANE-SULFONIC ACID SODIUM SALT AND PURIFICATION PROCESS | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-02-08 | — | — | WO | claimed |
| WO-2007016208-A2 | 1,2-BENZISOXAZOLE-3-METHANE-SULFONIC ACID AMMONIUM SALT | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2007-02-08 | — | — | WO | disclosed |
| EP-1373229-A4 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMA (IL) | 2005-05-04 | — | — | EP | disclosed |
| EP-1373229-A1 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002070495-A1 | PROCESS FOR THE PREPARATION OF 1,2-BENZISOXAZOLE-3-ACETIC ACID | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2002-09-12 | — | — | WO | disclosed |