Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Tiludronic Acid. 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 | |
|---|---|---|---|---|
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.96 |
| ▸ | MMP8 known ✓ | P22894 | 2/20 | 0.68 |
| ▸ | MMP2 | P08253 | 3/20 | 0.68 |
| ▸ | MMP14 | P50281 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Tiludronic Acid SCHEMBL41053 | 0.98 | MMP1 (1.00) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL8607912 | 0.86 | MMP2 (0.74) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL7159094 | 0.84 | MMP2 (0.77) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL8607914 | 0.81 | MMP2 (0.92) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL18988 | 0.81 | MMP2 (1.00) | MMP1MMP2MMP8MMP14HSD17B10 | |
| SCHEMBL29406152 | 0.80 | MMP1 (0.69) | MMP1MMP2MMP8MMP14TSHR | |
| Tiludronic Acid SCHEMBL3628467 | 0.79 | MMP2 (0.96) | MMP1MMP2MMP8MMP14HSD17B10 | |
| SCHEMBL17954020 | 0.75 | MMP2 (0.79) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL2067280 | 0.72 | MMP2 (0.80) | MMP1MMP2MMP8MMP14HSD17B10 | |
| Tiludronic Acid SCHEMBL2323298 | 0.70 | MMP2 (0.75) | MMP1MMP2MMP8MMP14HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831789-A1 | STABLE PHARMACEUTICAL COMPOSITIONS CONTAINING TILUDRONATE HYDRATES AND PROCESS FOR PRODUCING THE PHARMACEUTICAL COMPOSITIONS | SANOFI (FR) | 1998-04-01 | — | — | EP | disclosed |
| US-5656288-A | SUBJECTING DISODIUM TILUDRONATE MONOHYDRATE TO AN EXCESS OF WATER TO OBTAIN DISODIUM TILUDRONATE TETRAHYDRATE; COMPOUNDING WITH SODIUM LAURYL SULFATE CARRIER | SANOFI WINTHROP, INC. (US) | 1997-08-12 | — | — | US | disclosed |
| WO-1996041618-A1 | STABLE PHARMACEUTICAL COMPOSITIONS CONTAINING TILUDRONATE HYDRATES AND PROCESS FOR PRODUCING THE PHARMACEUTICAL COMPOSITIONS | SANOFI (FR) | 1996-12-27 | — | — | WO | disclosed |