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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.51 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.51 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.51 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.59 |
| ▸ | MEN1 | O00255 | 7/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30866867 | 0.89 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL6823894 | 0.89 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL4156875 | 0.81 | KMT2A (0.63) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL29035960 | 0.81 | KMT2A (0.60) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL29638283 | 0.79 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL31254284 | 0.79 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL28647868 | 0.79 | KMT2A (0.61) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL2102471 | 0.79 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL651847 | 0.79 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT | |
| SCHEMBL2102468 | 0.79 | KMT2A (0.58) | KMT2AMEN1ALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004113301-A1 | GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | GLAXO GROUP LIMITED (GB) | 2004-12-29 | — | — | WO | disclosed |