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 | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.51 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.51 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2922045 | 0.80 | MEN1 (0.56) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL2755865 | 0.78 | KDM4E (0.62) | MEN1KMT2AALDH1A1RAB9AHIF1A | |
| SCHEMBL9382808 | 0.78 | MEN1 (0.53) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL424285 | 0.78 | HIF1A (0.59) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL424284 | 0.76 | HIF1A (0.58) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7974997 | 0.76 | HIF1A (0.58) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL7974996 | 0.76 | HIF1A (0.58) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A | |
| SCHEMBL30086100 | 0.76 | KDM4E (0.58) | ALDH1A1SMN1; SMN2KDM4ETDP1TSHR | |
| SCHEMBL229256 | 0.76 | KDM4E (0.58) | ALDH1A1SMN1; SMN2KDM4ETDP1TSHR | |
| SCHEMBL31059181 | 0.76 | KDM4E (0.68) | ALDH1A1SMN1; SMN2HIF1AKDM4ETDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991017995-A1 | NEW PENEM DITHIOCARBAMATES, THEIR USE AND PRODUCTION METHODS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1991-11-28 | — | — | WO | disclosed |