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 | 2/20 | 0.44 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | L3MBTL3 | Q96JM7 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL8062364 | 0.84 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL8062401 | 0.83 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL15880888 | 0.83 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| Hydrochloric Acid SCHEMBL28047374 | 0.83 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL27547268 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL15881227 | 0.81 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL1487099 | 0.78 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL8476956 | 0.77 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2GAAHTTTSHR | |
| SCHEMBL8476958 | 0.74 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1 | |
| SCHEMBL28966756 | 0.72 | L3MBTL1 (0.57) | ALDH1A1SMN1; SMN2GAAHTTL3MBTL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1005463-A1 | FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-06-07 | — | — | EP | disclosed |
| US-5994396-A | Furansulfonic acid derivatives and pharmaceutical compositions containing the same | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-11-30 | — | — | US | disclosed |
| WO-1999009022-A1 | FURANSULFONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-02-25 | — | — | WO | disclosed |