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 | |
|---|---|---|---|---|
| ▸ | HMGCR known ✓ | P04035 | 4/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.38 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.38 |
| ▸ | GABBR2 known ✓ | O75899 | 1/20 | 0.36 |
| ▸ | GABBR1 known ✓ | Q9UBS5 | 1/20 | 0.36 |
| ▸ | HPN | P05981 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GALR3 | O60755 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TYR | P14679 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7525968 | 0.89 | HPN (0.52) | HPNMAPTALOX15SIRT5HMGCR | |
| SCHEMBL9638256 | 0.88 | HPN (0.50) | HPNMAPTALOX15SIRT5HMGCR | |
| SCHEMBL9723350 | 0.73 | HMGCR (0.58) | HPNMAPTALOX15SIRT5HMGCR | |
| SCHEMBL7531566 | 0.72 | HMGCR (0.60) | HPNMAPTALOX15SIRT5HMGCR | |
| SCHEMBL10698130 | 0.71 | ALOX15 (0.63) | HPNMAPTALOX15SIRT5SMN1; SMN2 | |
| SCHEMBL10503818 | 0.71 | ALOX15 (0.63) | HPNMAPTALOX15SIRT5SMN1; SMN2 | |
| Probucol SCHEMBL8344272 | 0.71 | HPN (0.81) | HPNMAPTALOX15SIRT5SMN1; SMN2 | |
| SCHEMBL2150903 | 0.70 | MMP2 (0.51) | ALOX15ALDH1A1MMP1MMP2MMP8 | |
| SCHEMBL646923 | 0.70 | ALOX15 (0.61) | HPNMAPTALOX15SIRT5SMN1; SMN2 | |
| SCHEMBL9504462 | 0.70 | ALOX15 (0.61) | HPNMAPTALOX15SIRT5SMN1; SMN2 |
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-5153183-A | Antiarthritic agents | TORAY INDUSTRIES, INC. (JP) | 1992-10-06 | — | — | US | disclosed |
| EP-0440809-A1 | METHYLENEDIPHOSPHONIC ACID COMPOUND AND ANTI-INFLAMMATORY CONTAINING THE SAME AS ACTIVE INGREDIENT | TORAY INDUSTRIES, INC. (JP) | 1991-08-14 | — | — | EP | disclosed |