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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.32 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.32 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.31 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775440 | 0.80 | PPARD (0.38) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL98778 | 0.80 | PPARD (0.38) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL5451691 | 0.77 | MAPT (0.37) | PPARDTSHR | |
| SCHEMBL5664552 | 0.74 | PPARD (0.33) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL11693396 | 0.70 | TSHR (0.43) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL11693393 | 0.69 | TSHR (0.48) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL7168799 | 0.69 | — | — | |
| Diethyl Hydrogen Phosphate SCHEMBL28596731 | 0.69 | CA1 (0.43) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL9115357 | 0.68 | TSHR (0.46) | PPARDTSHRTP53TDP1CA1 | |
| SCHEMBL6579016 | 0.67 | TSHR (0.40) | PPARDTSHRTP53TDP1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0802920-B1 | ANTIFUNGAL FUSACANDINS | ABBOTT LAB (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5773421-A | Antifungal fusacandins | ABBOTT LABORATORIES (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0802920-A2 | ANTIFUNGAL FUSACANDINS | Abbott Laboratories (US) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021670-A2 | ANTIFUNGAL FUSACANDINS | ABBOTT LABORATORIES (US) | 1996-07-18 | — | — | WO | disclosed |