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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.35 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.35 |
| ▸ | CA12 known ✓ | O43570 | 1/20 | 0.35 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3525 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| SCHEMBL29357453 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Hydrochloric Acid SCHEMBL20582713 | 0.98 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| SCHEMBL3732612 | 0.94 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Phenol SCHEMBL2708696 | 0.93 | HPGD (0.41) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Benzoic Acid SCHEMBL15903860 | 0.91 | CA2 (0.40) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Oxamate SCHEMBL8591136 | 0.91 | SIRT1 (0.39) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Thioglycolic Acid SCHEMBL7524623 | 0.91 | HPGD (0.37) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Benzyl Alcohol SCHEMBL2110820 | 0.90 | GAA (0.39) | ALDH1A1HPGDKDM4EPOLBNPC1 | |
| Chlorobutanol SCHEMBL1360834 | 0.89 | HPGD (0.35) | ALDH1A1HPGDKDM4EPOLBNPC1 |
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-0981370-A1 | A METHOD OF PRESERVATION OF VACCINES WITH POLYBIGUANIDE | MEDEVA EUROPE LIMITED (GB) | 2000-03-01 | — | — | EP | disclosed |
| WO-1998042373-A1 | A METHOD OF PRESERVATION OF VACCINES WITH POLYBIGUANIDE | MEDEVA EUROPE LIMITED (GB) | 1998-10-01 | — | — | WO | disclosed |
| US-4425330-A | Bovine mastitis vaccine and method for detecting efficacy thereof | CORNELL RESEARCH FOUNDATION, INC. (US) | 1984-01-10 | — | — | US | disclosed |