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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 known ✓ | P14867 | 1/20 | 0.43 |
| ▸ | GABRA2 known ✓ | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 known ✓ | P47870 | 1/20 | 0.43 |
| ▸ | CA12 known ✓ | O43570 | 3/20 | 0.39 |
| ▸ | CA1 known ✓ | P00915 | 3/20 | 0.39 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.39 |
| ▸ | FDPS known ✓ | P14324 | 1/20 | 0.36 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | SLCO1B3 | Q9NPD5 | 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 | |
|---|---|---|---|---|
| SCHEMBL9013130 | 0.93 | GMNN (0.47) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9012727 | 0.85 | GMNN (0.42) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9013241 | 0.80 | HDAC6 (0.43) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9013218 | 0.79 | HDAC6 (0.45) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9012789 | 0.76 | CYP3A4 (0.47) | ALDH1A1LMNAMAPTNFKB1THPO | |
| SCHEMBL8819367 | 0.76 | ALDH1A1 (0.50) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9013206 | 0.76 | CYP3A4 (0.43) | GMNNALDH1A1LMNACYP2D6MAPT | |
| SCHEMBL9012811 | 0.76 | HDAC6 (0.46) | GMNNALDH1A1LMNACYP2D6MAPT | |
| Hydrochloric Acid SCHEMBL9012915 | 0.76 | CYP3A4 (0.47) | ALDH1A1LMNAMAPTNFKB1THPO | |
| SCHEMBL5845234 | 0.74 | ALDH1A1 (0.56) | GMNNALDH1A1LMNACYP2D6MAPT |
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-0580642-B1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA (IT) | 1996-11-06 | — | — | EP | disclosed |
| US-5446187-A | Aminoacyl derivatives of gem-diphosphonic acids, a process for the preparation thereof and pharmaceutical compositions containing them | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1995-08-29 | — | — | US | disclosed |
| WO-1992018512-A1 | AMINOACYL DERIVATIVES OF GEM-DIPHOSPHONIC ACIDS, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) | 1992-10-29 | — | — | WO | disclosed |