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 | 0.49 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.49 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 6/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CA7 | P43166 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4603600 | 0.97 | TSHR (0.53) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| SCHEMBL4606535 | 0.97 | TSHR (0.53) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| SCHEMBL4604482 | 0.97 | TSHR (0.53) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| Potassium Ion SCHEMBL1861734 | 0.97 | TSHR (0.53) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| SCHEMBL1863791 | 0.85 | TSHR (0.55) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| SCHEMBL28948566 | 0.85 | TSHR (0.55) | TSHRLMNAL3MBTL1KDM4ECA12 | |
| SCHEMBL4604670 | 0.84 | ALDH1A1 (0.56) | TSHRLMNAL3MBTL1KDM4ETDP1 | |
| SCHEMBL4605459 | 0.84 | ALDH1A1 (0.56) | TSHRLMNAL3MBTL1KDM4ETDP1 | |
| SCHEMBL4604108 | 0.84 | ALDH1A1 (0.56) | TSHRLMNAL3MBTL1KDM4ETDP1 | |
| SCHEMBL1861731 | 0.84 | TSHR (0.53) | TSHRLMNAL3MBTL1KDM4ECA12 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2019166-B1 | OLIGOMER REMOVER FOR POLYESTER FIBER MATERIAL | NICCA CHEMICAL CO (JP) | 2016-03-02 | — | — | EP | disclosed |
| US-8324338-B2 | Oligomer removing agent for polyester-based fiber material | NICCA CHEMICAL CO., LTD. (JP) | 2012-12-04 | — | — | US | disclosed |
| US-20110107526-A1 | OLIGOMER REMOVING AGENT FOR POLYESTER-BASED FIBER MATERIAL | NICCA CHEMICAL CO., LTD. (JP) | 2011-05-12 | — | — | US | disclosed |
| EP-2218820-A1 | DYEABILITY IMPROVER FOR POLYESTER FIBER MATERIAL | NICCA CHEMICAL CO., LTD. (JP) | 2010-08-18 | — | — | EP | disclosed |
| US-20100064451-A1 | DYEING QUALITY IMPROVER FOR POLYESTER-BASED FIBER MATERIALS | NICCA CHEMICAL CO., LTD. (JP) | 2010-03-18 | — | — | US | disclosed |
| US-20090036640-A1 | Oligomer Removing Agent for Polyester-Based Fiber Material | NICCA CHEMICAL CO., LTD. (JP) | 2009-02-05 | — | — | US | disclosed |
| EP-2019166-A1 | OLIGOMER REMOVER FOR POLYESTER FIBER MATERIAL | NICCA CHEMICAL CO., LTD. (JP) | 2009-01-28 | — | — | EP | disclosed |