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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FPR2 | P25090 | 5/20 | 0.43 |
| ▸ | FPR1 | P21462 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PYGL | P06737 | 1/20 | 0.40 |
| ▸ | PYGM | P11217 | 1/20 | 0.40 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.40 |
| ▸ | MC5R | P33032 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9091094 | 0.90 | ITGA4 (0.43) | KMT2AMEN1MMP8MC4RTSHR | |
| SCHEMBL9091073 | 0.90 | KMT2A (0.50) | FPR2KMT2AMEN1SMN1; SMN2MMP8 | |
| SCHEMBL9089842 | 0.87 | KMT2A (0.46) | KMT2ASMN1; SMN2TSHRALDH1A1CYP51A1 | |
| SCHEMBL9230023 | 0.86 | CA1 (0.39) | KMT2AMEN1SMN1; SMN2MMP8TSHR | |
| SCHEMBL9087281 | 0.84 | PIN1 (0.43) | KMT2AMEN1MMP8 | |
| SCHEMBL9087328 | 0.84 | CAPN1 (0.43) | FPR2FPR1KMT2AMEN1SMN1; SMN2 | |
| SCHEMBL9089150 | 0.81 | CNR2 (0.38) | KMT2AMEN1SMN1; SMN2MMP8MC4R | |
| SCHEMBL9090621 | 0.80 | ITGA4 (0.45) | KMT2AMEN1SMN1; SMN2MMP8TSHR | |
| SCHEMBL9088919 | 0.80 | MMP8 (0.53) | FPR2KMT2AMEN1SMN1; SMN2MMP8 | |
| SCHEMBL9090267 | 0.80 | CTSS (0.44) | KMT2AMEN1MMP8TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5556853-A | THIOL PROTEASE INHIBITORS, TREATMENT OF OSTEOPOROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-09-17 | — | — | US | disclosed |
| EP-0655447-A1 | Epoxysuccinic acid derivatives | Takeda Chemical Industries, Ltd. (JP) | 1995-05-31 | — | — | EP | disclosed |