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 | 1/20 | 0.41 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.41 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.37 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.36 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.36 |
| ▸ | TYMS known ✓ | P04818 | 1/20 | 0.35 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 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 | |
|---|---|---|---|---|
| SCHEMBL10950376 | 0.83 | PLAU (0.50) | KDM4ETDP1POLBPLAUCYP3A4 | |
| SCHEMBL3871771 | 0.83 | KDM4E (0.52) | KDM4ETDP1POLBPLAUCYP3A4 | |
| SCHEMBL29589377 | 0.75 | ABCG2 (0.53) | KDM4EPOLBHSD17B10ALDH1A1ALOX15 | |
| SCHEMBL2592116 | 0.75 | ABCG2 (0.53) | KDM4EPOLBHSD17B10ALDH1A1ALOX15 | |
| SCHEMBL10028229 | 0.72 | PLAU (0.59) | KDM4ETDP1PLAUCYP3A4HSD17B10 | |
| SCHEMBL9572324 | 0.72 | PLAU (0.59) | KDM4ETDP1PLAUCYP3A4HSD17B10 | |
| SCHEMBL28574517 | 0.72 | PLAU (0.59) | KDM4ETDP1PLAUCYP3A4HSD17B10 | |
| SCHEMBL888188 | 0.72 | ABCG2 (0.53) | KDM4EPOLBHSD17B10ALDH1A1ALOX15 | |
| Zinc Ion SCHEMBL4959077 | 0.72 | ABCG2 (0.53) | KDM4EPOLBHSD17B10ALDH1A1ALOX15 | |
| SCHEMBL4962058 | 0.72 | ABCG2 (0.57) | KDM4EPOLBHSD17B10ALDH1A1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-20070031319-A1 | Carbon material | DEGUSSA AG (DE) | 2007-02-08 | — | — | US | disclosed |