Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 5/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.37 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 5/20 | 0.77 |
| ▸ | MMP8 | P22894 | 4/20 | 0.77 |
| ▸ | MMP14 | P50281 | 3/20 | 0.77 |
| ▸ | MMP1 | P03956 | 2/20 | 0.75 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Tiludronic Acid SCHEMBL8607912 | 0.98 | MMP2 (0.74) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL18988 | 0.87 | MMP2 (1.00) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL41053 | 0.86 | MMP1 (1.00) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL3628467 | 0.85 | MMP2 (0.96) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL8610150 | 0.84 | MMP1 (0.96) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL8607914 | 0.84 | MMP2 (0.92) | MMP2MMP8MMP14MMP1HSD17B10 | |
| SCHEMBL2150903 | 0.83 | MMP2 (0.51) | MMP2MMP8MMP14MMP1TSHR | |
| SCHEMBL17954020 | 0.81 | MMP2 (0.79) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL2067280 | 0.78 | MMP2 (0.80) | MMP2MMP8MMP14MMP1HSD17B10 | |
| Tiludronic Acid SCHEMBL2323298 | 0.76 | MMP2 (0.75) | MMP2MMP8MMP14MMP1HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6555529-B1 | Administering (4-methylthiophenylthio)methane-1,1-bisphosphonic acid for treatment of bone marrow disorders such as inflammatory disease, myeloma, anemia, and leukemia | TORAY INDUSTRIES, INC. (JP) | 2003-04-29 | — | — | US | disclosed |
| EP-0998934-A1 | REMEDIES FOR INTRAMEDULLARY DISEASES | TORAY INDUSTRIES, INC. (JP) | 2000-05-10 | — | — | EP | disclosed |
| US-5739381-A | HEATING AQUEOUS SOLUTION OF DISODIUM TILUDRONATE HEMIHYDRATE, COOLING, FILTRATION OF FORMED MONOHYDRATE PRECIPITATE, DRYING | SANOFI (FR) | 1998-04-14 | — | — | US | disclosed |
| 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 |
| US-5405994-A | Antiarthritic agents | SANOFI (FR) | 1995-04-11 | — | — | US | disclosed |