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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.72 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.72 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.72 |
| ▸ | CA9 | Q16790 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 12/20 | 0.66 |
| ▸ | RAB9A | P51151 | 8/20 | 0.64 |
| ▸ | NPC1 | O15118 | 6/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL13756244 | 0.86 | EPHX1 (0.86) | CYP2C9CYP2C19EPHX1RAB9ANPC1 | |
| SCHEMBL12793783 | 0.85 | CA12 (0.72) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL11594697 | 0.85 | CA12 (0.72) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL13756248 | 0.84 | EPHX1 (0.83) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL672714 | 0.84 | CA12 (1.00) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL11594688 | 0.81 | RAB9A (0.57) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL12196184 | 0.80 | EPHX1 (1.00) | CYP2C9CYP2C19EPHX1RAB9ANPC1 | |
| SCHEMBL8391687 | 0.80 | EPHX1 (1.00) | CYP2C9CYP2C19EPHX1RAB9ANPC1 | |
| SCHEMBL14726345 | 0.79 | CA12 (0.72) | CA12CA1CA2CA9CYP2C9 | |
| SCHEMBL24988039 | 0.78 | EPHX1 (0.73) | CYP2C9CYP2C19EPHX1RAB9ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4078933-A | OXONOL DYE | FUJI PHOTO FILM CO., LTD. (JA) | 1978-03-14 | — | — | US | disclosed |