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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 2/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | FADS1 | O60427 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8936758 | 0.87 | NOS2 (0.48) | NOS2RECQLFADS1ABL1GCK | |
| SCHEMBL8397333 | 0.83 | ALDH1A1 (0.46) | NOS2RECQLABL1GCKKDM4E | |
| SCHEMBL8397348 | 0.80 | ALDH1A1 (0.46) | NOS2RECQLABL1KDM4EKMT2A | |
| SCHEMBL20544345 | 0.78 | ABL1 (0.48) | NOS2ABL1KDM4EERCC5FEN1 | |
| SCHEMBL10964252 | 0.74 | NOS2 (0.60) | NOS2RECQLFADS1ABL1GCK | |
| SCHEMBL16094114 | 0.74 | ALDH1A1 (0.47) | RECQLABL1KDM4EKMT2AALDH1A1 | |
| SCHEMBL8648001 | 0.73 | KDM4E (0.49) | NOS2KDM4EGLAALDH1A1MAPT | |
| SCHEMBL8396751 | 0.71 | NOS2 (0.47) | NOS2RECQLFADS1ABL1GCK | |
| SCHEMBL20556394 | 0.71 | NOS2 (0.73) | NOS2RECQLFADS1ABL1KDM4E | |
| SCHEMBL2079618 | 0.71 | NOS2 (0.60) | NOS2RECQLFADS1ABL1GCK |
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-0663899-A4 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS. | UNIV MARYLAND (US) | 1996-01-17 | — | — | EP | disclosed |
| EP-0663899-A1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1995-07-26 | — | — | EP | disclosed |
| WO-1995004714-A1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1995-02-16 | — | — | WO | disclosed |