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 | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.47 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.47 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 6/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6734697 | 1.00 | NAAA (0.52) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6741785 | 1.00 | NAAA (0.52) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| Disodium Butoxycarbonylphosphonate SCHEMBL11147279 | 0.92 | ALDH1A1 (0.50) | NAAAEPHX1TSHRHCAR2ALDH1A1 | |
| SCHEMBL6741118 | 0.84 | NAAA (0.47) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6734686 | 0.84 | NAAA (0.47) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6739927 | 0.84 | NAAA (0.47) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| Phosphoric Acid SCHEMBL27343201 | 0.81 | HTR2C (0.64) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6739566 | 0.80 | LPAR3 (0.55) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6733974 | 0.80 | LPAR3 (0.55) | NAAAEPHX1TSHRLPAR3LPAR1 | |
| SCHEMBL6734330 | 0.80 | LPAR3 (0.55) | NAAAEPHX1TSHRLPAR3LPAR1 |
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-6686462-B2 | Antiviral compounds and methods of administration | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2004-02-03 | — | — | US | disclosed |
| WO-1998038202-A1 | ANTIVIRAL PHOSPHONATE PRODRUGS OF NUCLEOSIDES AND NUCLEOSIDE ANALOGUES | DANA-FARBER CANCER INSTITUTE (US) | 1998-09-03 | — | — | WO | disclosed |