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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 8/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 5/20 | 0.53 |
| ▸ | SCD | O00767 | 1/20 | 0.49 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.47 |
| ▸ | GGPS1 | O95749 | 2/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.46 |
| ▸ | CDK2 | P24941 | 1/20 | 0.46 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.46 |
| ▸ | ACP1 | P24666 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | MMP14 | P50281 | 2/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9790811 | 0.90 | FDPS (0.61) | KDRFDPSSCDGSTO1GGPS1 | |
| SCHEMBL9790770 | 0.89 | FDPS (0.60) | KDRFDPSSCDGSTO1GGPS1 | |
| SCHEMBL9790768 | 0.78 | FDPS (0.80) | FDPS | |
| SCHEMBL9790580 | 0.75 | MAPT (0.49) | FDPSSCDGSTO1 | |
| SCHEMBL9790627 | 0.73 | KDR (0.49) | KDRFDPSSCDGSTO1CCNE1 | |
| SCHEMBL9790819 | 0.72 | ACP1 (0.53) | SCDACP1 | |
| Phosphonic Acid SCHEMBL9790792 | 0.70 | KDR (0.52) | KDRSCDGSTO1CCNE1CDK2 | |
| SCHEMBL10252594 | 0.70 | KDR (1.00) | KDRSCDGSTO1CCNE1CDK2 | |
| SCHEMBL9790621 | 0.69 | FDPS (0.79) | FDPS | |
| SCHEMBL5840422 | 0.67 | KDR (0.72) | KDRSCDGSTO1CCNE1CDK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5057505-A | Treatment of illnesses attributed to calcium metabolism disorders | CIBA-GEIGY CORPORATION (US) | 1991-10-15 | — | — | US | disclosed |