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 | 3/20 | 0.59 |
| ▸ | NCOA3 | Q9Y6Q9 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MITF | O75030 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.55 |
| ▸ | MMP3 | P08254 | 1/20 | 0.55 |
| ▸ | MMP13 | P45452 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | MYC | P01106 | 1/20 | 0.53 |
| ▸ | MAX | P61244 | 1/20 | 0.53 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | DDX3X | O00571 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7958261 | 0.89 | MAPT (0.72) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL7958266 | 0.89 | MAPT (0.72) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL15400058 | 0.83 | CISD1 (0.74) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL12008437 | 0.83 | CISD1 (0.74) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL15400060 | 0.83 | CISD1 (0.74) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL7958515 | 0.81 | AKR1B1 (0.67) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL7958513 | 0.81 | AKR1B1 (0.67) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL12008457 | 0.79 | FFAR1 (0.74) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL6884331 | 0.78 | AKR1B1 (0.82) | MAPTNCOA3ALDH1A1MITFRAB9A | |
| SCHEMBL6884328 | 0.78 | AKR1B1 (0.82) | MAPTNCOA3ALDH1A1MITFRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6251928-B1 | ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL | ELI LILLY AND COMPANY | 2001-06-26 | — | — | US | disclosed |
| EP-0677517-A1 | Treatment of Alzheimer's disease employing inhibitors of cathepsin D | ELI LILLY AND COMPANY (US) | 1995-10-18 | — | — | EP | disclosed |