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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 9/20 | 0.47 |
| ▸ | MEN1 | O00255 | 7/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | NR1D1 | P20393 | 6/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL960965 | 0.96 | MAPT (0.53) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| Phenol SCHEMBL27464528 | 0.84 | NR1D1 (0.47) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL5182378 | 0.81 | KMT2A (0.51) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL7048967 | 0.76 | KMT2A (0.54) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL4880954 | 0.76 | MAPT (0.53) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL10160727 | 0.76 | KMT2A (0.54) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL7753003 | 0.76 | MAPT (0.53) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL27834139 | 0.76 | MAPT (0.49) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL9449945 | 0.74 | MEN1 (0.49) | MAPTKDM4EHTTALDH1A1L3MBTL1 | |
| SCHEMBL6261093 | 0.73 | MAPT (0.52) | MAPTKDM4EHTTALDH1A1L3MBTL1 |
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-5874472-A | Aminoacid derivatives as no synthase inhibitors | GLAXO WELLCOME INC. (US) | 1999-02-23 | — | — | US | disclosed |