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 | 0.46 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 3/20 | 0.48 |
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL23499947 | 0.84 | CNR2 (0.59) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL3357585 | 0.83 | NCEH1 (0.65) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL30676839 | 0.83 | NCEH1 (0.65) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL979842 | 0.83 | CA12 (0.58) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5403782 | 0.81 | CA12 (0.56) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL3997233 | 0.81 | MAPT (0.55) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL10966660 | 0.81 | MAPT (0.55) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL3915104 | 0.81 | NCEH1 (0.70) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL10617741 | 0.81 | NCEH1 (0.57) | MAPTKDM4EHPGDMEN1ALDH1A1 | |
| SCHEMBL30742709 | 0.81 | MAPT (0.55) | MAPTKDM4EHPGDMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5994270-A | CONTROLLING GAEUMANNOMYCES | MONSANTO COMPANY (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0619297-B1 | Fungicides for the control of take-all desease of plants | MONSANTO CO (US) | 1997-06-18 | — | — | EP | disclosed |
| EP-0619297-A1 | Fungicides for the control of take-all desease of plants | MONSANTO COMPANY (US) | 1994-10-12 | — | — | EP | disclosed |