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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | NR3C1 known ✓ | P04150 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | TOP1 | P11387 | 3/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CFD | P00746 | 1/20 | 0.43 |
| ▸ | TNFSF11 | O14788 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GAPDH | P04406 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Silver SCHEMBL10541979 | 0.96 | TSHR (0.68) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL9491161 | 0.86 | TSHR (0.64) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL6550416 | 0.82 | TSHR (0.75) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL30154503 | 0.81 | TSHR (1.00) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL640263 | 0.81 | TSHR (1.00) | TSHRRAB9AKDM4EALDH1A1GAA | |
| 3,4,5-Triacetoxybenzoic Acid SCHEMBL9491762 | 0.79 | TOP1 (0.56) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8350070 | 0.79 | TSHR (0.70) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL10541988 | 0.79 | TSHR (0.96) | TSHRRAB9AKDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL9650466 | 0.79 | TSHR (0.96) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL8830836 | 0.79 | TSHR (0.70) | TSHRRAB9AKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5189157-A | ANTIBACTERIAL CEPHALOSPORIN COMPOUNDS | HOFFMANN LA ROCHE INC. (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0295630-A2 | Cephalosporin derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-12-21 | — | — | EP | disclosed |
| EP-0265185-A2 | Cephalosporins, processes for their preparation and pharmaceutical compositions containing them | BEECHAM GROUP PLC (GB) | 1988-04-27 | — | — | EP | disclosed |