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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCC8 known ✓ | Q09428 | 1/20 | 0.30 |
| ▸ | KCNJ11 known ✓ | Q14654 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11545376 | 0.88 | LMNA (0.46) | LMNAALDH1A1HPGDABCC9ABCC8 | |
| Ammonia Solution, Strong SCHEMBL11547117 | 0.87 | LMNA (0.45) | LMNAALDH1A1HPGDABCC9ABCC8 | |
| SCHEMBL11545501 | 0.84 | LMNA (0.63) | LMNA | |
| SCHEMBL11873222 | 0.84 | LMNA (0.48) | LMNAALDH1A1HPGDABCC9ABCC8 | |
| SCHEMBL11522281 | 0.77 | LMNA (0.45) | LMNAALDH1A1HPGDABCC9ABCC8 | |
| Potassium Ion SCHEMBL31229203 | 0.76 | LMNA (0.71) | LMNAHPGD | |
| SCHEMBL11545562 | 0.74 | LMNA (0.41) | LMNAHPGDHTT | |
| SCHEMBL11553863 | 0.73 | LMNA (0.58) | LMNA | |
| SCHEMBL11521825 | 0.73 | LMNA (0.44) | LMNAALDH1A1HPGDHTT | |
| SCHEMBL4311751 | 0.72 | LMNA (0.47) | LMNAALDH1A1HPGDHTT |
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-4138589-A | CHEMICAL INTERMEDIATES FOR COMPOUNDS USED AS X-RAY CONTRAST AGENTS | MALLINCKRODT, INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4069250-A | X-RAY CONTRAST AGENTS | MALLINCKRODT, INC. (US) | 1978-01-17 | — | — | US | disclosed |