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 | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 11/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 4/20 | 0.38 |
| ▸ | CA4 known ✓ | P22748 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17044643 | 0.88 | TDP1 (0.44) | CA2SMN1; SMN2PDPK1CYP2D6TSHR | |
| SCHEMBL17080150 | 0.80 | CA2 (0.43) | CA2SMN1; SMN2PDPK1CYP2D6TSHR | |
| SCHEMBL28503721 | 0.80 | CA2 (0.67) | CA2SMN1; SMN2CYP2D6TSHRLMNA | |
| SCHEMBL8954100 | 0.80 | CA2 (0.52) | CA2SMN1; SMN2CYP2D6TSHRLMNA | |
| SCHEMBL16443971 | 0.80 | CA2 (0.47) | CA2SMN1; SMN2PDPK1KCNH2 | |
| SCHEMBL7764249 | 0.80 | F2 (0.60) | CA2SMN1; SMN2PDPK1CYP2D6TSHR | |
| SCHEMBL4240715 | 0.80 | CA2 (0.47) | CA2SMN1; SMN2PDPK1CYP2D6TSHR | |
| SCHEMBL2881343 | 0.79 | TRPA1 (0.40) | CA2TSHRLMNACA1CA12 | |
| SCHEMBL5368246 | 0.78 | CA2 (0.46) | CA2SMN1; SMN2PDPK1CYP2D6TSHR | |
| SCHEMBL9390742 | 0.78 | CA2 (0.50) | CA2SMN1; SMN2CYP2D6TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7273918-B2 | Thermally stable self-doped functionalized polyanilines | Han, Chien-Chung (TW) | 2007-09-25 | — | — | US | disclosed |
| US-20050035335-A1 | Thermally stable self-doped functionalized polyanilines | NATIONAL TSING HUA UNIVERSITY (TW) | 2005-02-17 | — | — | US | disclosed |