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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 18/20 | 0.56 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | GSR | P00390 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1428159 | 0.98 | TXNRD1 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL7836091 | 0.96 | TXNRD1 (0.56) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL7836089 | 0.96 | TXNRD1 (0.56) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL228399 | 0.82 | S1PR4 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL29391771 | 0.82 | S1PR4 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL17372594 | 0.81 | TXNRD1 (0.48) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL27175931 | 0.80 | TXNRD1 (0.62) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL10740434 | 0.80 | TXNRD1 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL29830024 | 0.80 | TXNRD1 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 | |
| SCHEMBL1848090 | 0.80 | TXNRD1 (0.58) | TXNRD1S1PR4MAPTS1PR1MAPK1 |
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-1089993-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000000490-A2 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |
| WO-2000000487-A1 | 5-HT1F AGONISTS | ELI LILLY AND COMPANY (US) | 2000-01-06 | — | — | WO | disclosed |