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 | 4/20 | 0.56 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.79 |
| ▸ | USP2 | O75604 | 2/20 | 0.79 |
| ▸ | ATM | Q13315 | 1/20 | 0.79 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.79 |
| ▸ | ENPP2 | Q13822 | 4/20 | 0.77 |
| ▸ | MEN1 | O00255 | 4/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | APEX1 | P27695 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.56 |
| ▸ | RECQL | P46063 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL20496488 | 1.00 | PTPN1 (0.79) | PTPN1USP2ATML3MBTL1ENPP2 | |
| SCHEMBL29402157 | 1.00 | PTPN1 (0.79) | PTPN1USP2ATML3MBTL1ENPP2 | |
| SCHEMBL9222420 | 0.99 | PTPN1 (0.77) | PTPN1USP2ATML3MBTL1ENPP2 | |
| SCHEMBL29637814 | 0.90 | MEN1 (0.64) | PTPN1USP2ATML3MBTL1ENPP2 | |
| Trypan Blue Free Acid SCHEMBL31686853 | 0.88 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 | |
| Trypan Blue Free Acid SCHEMBL29350476 | 0.88 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 | |
| Trypan Blue Free Acid SCHEMBL9724 | 0.88 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 | |
| Trypan Blue Free Acid SCHEMBL29371631 | 0.88 | PTPN1 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 | |
| SCHEMBL16391031 | 0.87 | ENPP2 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 | |
| SCHEMBL31497279 | 0.87 | ENPP2 (1.00) | PTPN1USP2ATML3MBTL1ENPP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3587464-B1 | POLYMERIZABLE COMPOSITION OF OPTICAL MATERIALS, OPTICAL MATERIAL OBTAINED FROM SAID COMPOSITION, AND PLASTIC LENS | MITSUI CHEMICALS INC (JP) | 2022-08-03 | — | — | EP | disclosed |
| US-20220153963-A1 | METHOD OF PRODUCING OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2022-05-19 | — | — | US | disclosed |