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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS known ✓ | P14324 | 7/20 | 0.41 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GALR3 | O60755 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4679260 | 0.84 | FDPS (0.44) | FDPSBTN3A1PDE3ARAB9AGALR3 | |
| Water SCHEMBL5177023 | 0.83 | FDPS (0.43) | FDPSBTN3A1PDE3ARAB9AGALR3 | |
| SCHEMBL28096006 | 0.74 | SMN1; SMN2 (0.45) | FDPSLMNASMN1; SMN2HTTCCNC | |
| SCHEMBL28219782 | 0.73 | SRC (0.57) | FDPSBTN3A1PDE3ALMNASMN1; SMN2 | |
| SCHEMBL27714398 | 0.71 | KMT2A (0.45) | FDPSRAB9AMAPK1LMNASMN1; SMN2 | |
| SCHEMBL4744280 | 0.71 | SMN1; SMN2 (0.45) | FDPSBTN3A1PDE3ALMNASMN1; SMN2 | |
| SCHEMBL18301043 | 0.70 | SMN1; SMN2 (0.42) | FDPSMAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL6832378 | 0.67 | CCNC (0.48) | LMNASMN1; SMN2CCNCCDK8KMT2A | |
| SCHEMBL27647649 | 0.67 | FDPS (0.45) | FDPSBTN3A1PDE3ALMNASMN1; SMN2 | |
| SCHEMBL4744278 | 0.67 | SMN1; SMN2 (0.47) | LMNASMN1; SMN2HTTKMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1723157-A1 | AMORPHOUS FORMS OF RISEDRONATE MONOSODIUM | Zentiva, a.s. (CZ) | 2006-11-22 | — | — | EP | disclosed |
| WO-2005082915-A1 | AMORPHOUS FORMS OF RISEDRONATE MONOSODIUM | ZENTIVA, A.S. (CZ) | 2005-09-09 | — | — | WO | disclosed |
| EP-1556041-A1 | A NEW CRYSTALLINE FORM OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID | Zentiva, A.S. (CZ) | 2005-07-27 | — | — | EP | disclosed |
| WO-2004037252-A1 | A NEW CRYSTALLINE FORM OF THE SODIUM SALT OF 3-PYRIDYL-1-HYDROXYETHYLIDENE-1,1-BISPHOSPHONIC ACID | ZENTIVA, A.S. (CZ) | 2004-05-06 | — | — | WO | disclosed |