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 | 4/20 | 0.57 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.57 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.43 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1244154 | 0.84 | CA12 (0.50) | CA12CA9CA2ALDH1A1ALOX15 | |
| SCHEMBL30882073 | 0.83 | ALDH1A1 (0.56) | CA12CA9CA2ALDH1A1ALOX15 | |
| Sulfuric Acid SCHEMBL4958447 | 0.81 | HPGD (0.54) | CA12CA9CA2ALDH1A1ALOX15 | |
| SCHEMBL27273951 | 0.81 | RAB9A (0.48) | CA12CA9CA2ALDH1A1ALOX15 | |
| Water SCHEMBL10540128 | 0.80 | ALDH1A1 (0.59) | CA12CA9CA2ALDH1A1ALOX15 | |
| SCHEMBL16187039 | 0.80 | — | — | |
| SCHEMBL21208167 | 0.80 | ALDH1A1 (0.67) | CA12CA9CA2ALDH1A1ALOX15 | |
| SCHEMBL7879117 | 0.80 | — | — | |
| SCHEMBL8277 | 0.80 | — | — | |
| SCHEMBL10557768 | 0.80 | ALDH1A1 (0.67) | CA12CA9CA2ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0576201-B1 | Fungicidal 1,2,4-triazoles | ROHM & HAAS (US) | 2001-08-16 | — | — | EP | disclosed |
| US-5624916-A | Fungicidal 1,2,4-triazoles | ROHM AND HAAS COMPANY (US) | 1997-04-29 | — | — | US | disclosed |
| US-5462931-A | Controlling phytopathogens | ROHM AND HAAS COMPANY (US) | 1995-10-31 | — | — | US | disclosed |
| US-5358939-A | For applying to soils, seeds, plants, or for storage of cereal grains | ROHM AND HAAS COMPANY (US) | 1994-10-25 | — | — | US | disclosed |
| EP-0576201-A2 | Fungicidal 1,2,4-triazoles | ROHM AND HAAS COMPANY (US) | 1993-12-29 | — | — | EP | disclosed |