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 | |
|---|---|---|---|---|
| ▸ | THRB known ✓ | P10828 | 3/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.70 |
| ▸ | ATM | Q13315 | 1/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.70 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | GRK2 | P25098 | 1/20 | 0.54 |
| ▸ | PLEC | Q15149 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PHLPP2 | Q6ZVD8 | 2/20 | 0.51 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.46 |
| ▸ | APEX1 | P27695 | 2/20 | 0.45 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL6846208 | 0.86 | USP2 (0.74) | PTPN1USP2ATML3MBTL1MEN1 | |
| SCHEMBL29358440 | 0.86 | USP2 (0.74) | PTPN1USP2ATML3MBTL1MEN1 | |
| SCHEMBL4806483 | 0.85 | USP2 (0.66) | PTPN1USP2ATML3MBTL1MEN1 | |
| SCHEMBL29354476 | 0.85 | USP2 (0.66) | PTPN1USP2ATML3MBTL1MEN1 | |
| SCHEMBL186094 | 0.85 | USP2 (0.66) | PTPN1USP2ATML3MBTL1MEN1 | |
| SCHEMBL29694157 | 0.83 | USP2 (0.63) | PTPN1USP2ATML3MBTL1MEN1 | |
| Trypan Blue Free Acid SCHEMBL29371631 | 0.82 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1MEN1 | |
| Trypan Blue Free Acid SCHEMBL31686853 | 0.82 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1MEN1 | |
| Trypan Blue Free Acid SCHEMBL29350476 | 0.82 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1MEN1 | |
| Trypan Blue Free Acid SCHEMBL9724 | 0.82 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3485076-B1 | CLEANING AGENT IDENTIFICATION | HENKEL AG & CO KGAA (DE) | 2022-11-02 | — | — | EP | disclosed |