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 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | FADS1 | O60427 | 1/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GCK | P35557 | 2/20 | 0.36 |
| ▸ | KMO | O15229 | 2/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30852448 | 0.85 | KMO (0.51) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL8397341 | 0.85 | KMO (0.51) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL30852441 | 0.85 | KMO (0.51) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL7967428 | 0.85 | KMO (0.51) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL8397345 | 0.85 | KMO (0.51) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL8396747 | 0.84 | KMO (0.50) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL8396761 | 0.84 | KMO (0.50) | NOS2RECQLFADS1KDM4EKMO | |
| SCHEMBL2450666 | 0.74 | ALDH1A1 (0.61) | NOS2RECQLFADS1ERCC5FEN1 | |
| Av-101 SCHEMBL727370 | 0.73 | KMO (0.51) | KDM4EALDH1A1KMOCYP3A4ABL1 | |
| Av-101 SCHEMBL18742668 | 0.73 | KMO (0.51) | KDM4EALDH1A1KMOCYP3A4ABL1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0663899-B1 | SUBSTITUTED KYNURENINES, A PROCESS FOR THEIR PREPARATION, AND USE AS MEDICAMENTS | UNIV MARYLAND (US) | 1999-06-30 | — | — | EP | disclosed |
| EP-0919538-A1 | Substituted kynurenines, a process for their preparation, and use as medicaments | THE UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1999-06-02 | — | — | EP | disclosed |
| US-5786508-A | ENZYME INHIBITOR; COGNITION ACTIVATOR | PHARMACIA & UPJOHN S.P.A. (IT) | 1998-07-28 | — | — | US | disclosed |
| US-5708030-A | COGNITION ACTIVATORS, PERINATAL BRAIN DISORDERS | UNIVERSITY OF MARYLAND (US) | 1998-01-13 | — | — | US | disclosed |
| US-5519055-A | ENZYME INHIBITORS | UNIVERSITY OF MARYLAND AT BALTIMORE (US) | 1996-05-21 | — | — | US | disclosed |
| 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 |