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 | 1/20 | 0.34 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.34 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.34 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL901588 | 0.74 | HTT (0.38) | HTTTSHRGFERALDH1A1LMNA | |
| Potassium Ion SCHEMBL902298 | 0.72 | ALDH1A1 (0.38) | HTTTSHRALDH1A1LMNACRHBP | |
| SCHEMBL902840 | 0.72 | ALDH1A1 (0.38) | HTTTSHRALDH1A1LMNACRHBP | |
| SCHEMBL902866 | 0.70 | LMNA (0.36) | HTTTSHRGFERALDH1A1LMNA | |
| SCHEMBL902081 | 0.70 | HTT (0.35) | HTTTSHRGFERALDH1A1LMNA | |
| SCHEMBL902100 | 0.70 | HTT (0.35) | HTTTSHRGFERALDH1A1LMNA | |
| SCHEMBL14420676 | 0.69 | TSHR (0.49) | HTTTSHRGFERALDH1A1LMNA | |
| SCHEMBL31505112 | 0.69 | HTT (0.47) | HTTTSHRGFERLMNACYP1A2 | |
| SCHEMBL902129 | 0.67 | KMT2A (0.34) | HTTTSHRGFERALDH1A1LMNA | |
| SCHEMBL14965497 | 0.66 | ESR1 (0.39) | HTTALDH1A1LMNANPSR1KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012042227-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS | PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) | 2012-04-05 | — | — | WO | claimed |
| WO-2012042227-A1 | COMPOUNDS FOR USE IN THE TREATMENT OF PLANTS | PENINSULA COLLEGE OF MEDICINE AND DENTISTRY, UNIVERSITY OF EXETER (GB) | 2012-04-05 | — | — | WO | disclosed |