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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 20/20 | 0.59 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.39 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.39 |
| ▸ | GGPS1 | O95749 | 7/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL370583 | 0.82 | FDPS (0.62) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL5196814 | 0.79 | FDPS (0.59) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL14485484 | 0.76 | FDPS (0.75) | FDPSGGPS1PDE3A | |
| Pamidronic Acid SCHEMBL570526 | 0.73 | FDPS (0.78) | FDPSGGPS1LMNAADRB3PDE4D | |
| Olpadronic Acid SCHEMBL5717996 | 0.73 | FDPS (0.55) | FDPSGGPS1LMNAADRB3PDE4D | |
| SCHEMBL9264613 | 0.70 | FDPS (0.61) | FDPSGGPS1LMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL328770 | 0.70 | FDPS (1.00) | FDPSGGPS1LMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL204535 | 0.69 | FDPS (0.96) | FDPSGGPS1LMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL536412 | 0.69 | FDPS (0.96) | FDPSGGPS1LMNAADRB3PDE4D | |
| Alendronic Acid SCHEMBL3388 | 0.69 | FDPS (0.96) | FDPSGGPS1LMNAADRB3PDE4D |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1848727-A1 | IBANDRONATE POLYMORPH B | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-31 | — | — | EP | claimed |
| WO-2006081962-A1 | IBANDRONATE POLYMORPH B | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | claimed |
| EP-1848727-A1 | IBANDRONATE POLYMORPH B | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| EP-1848728-A1 | IBANDRONATE POLYMORPH A | F.HOFFMANN-LA ROCHE AG (CH) | 2007-10-31 | — | — | EP | disclosed |
| WO-2006081963-A1 | IBANDRONATE POLYMORPH A | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |
| WO-2006081962-A1 | IBANDRONATE POLYMORPH B | F.HOFFMANN-LA ROCHE AG (CH) | 2006-08-10 | — | — | WO | disclosed |