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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3962888 | 0.88 | TSHR (0.52) | TSHRALDH1A1GAABBOX1PKM | |
| SCHEMBL18921055 | 0.88 | TSHR (0.52) | TSHRALDH1A1GAABBOX1PKM | |
| SCHEMBL463195 | 0.88 | TSHR (0.70) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| Lithium Ion SCHEMBL31152663 | 0.84 | TSHR (0.52) | TSHRALDH1A1GAABBOX1PKM | |
| SCHEMBL153651 | 0.83 | TSHR (0.77) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| SCHEMBL5392962 | 0.81 | TSHR (0.81) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| SCHEMBL11795597 | 0.81 | TSHR (0.81) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| SCHEMBL3120781 | 0.81 | TSHR (0.81) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| SCHEMBL180289 | 0.81 | TSHR (0.81) | TSHRALDH1A1GAAPKMSMN1; SMN2 | |
| SCHEMBL10834721 | 0.81 | TSHR (0.81) | TSHRALDH1A1GAAPKMSMN1; SMN2 |
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-0757050-B1 | Antibacterial penem esters derivatives | DAIICHI SUNTORY PHARMA CO LTD (JP) | 2003-06-04 | — | — | EP | disclosed |
| US-5885981-A | REACTING A HALOGENATED ALKYL COMPOUND WITH A PENEM COMPOUND | SUNTORY LIMITED (JP) | 1999-03-23 | — | — | US | disclosed |
| US-5830889-A | ANTIBIOTIC IN ORAL DOSAGE FORMS | SUNTORY LIMITED (JP) | 1998-11-03 | — | — | US | disclosed |
| EP-0544907-A1 | ANTIBACTERIAL PENEM ESTERS DERIVATIVES | SUNTORY LIMITED (JP) | 1993-06-09 | — | — | EP | disclosed |