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 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 4/20 | 0.57 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | DDO | Q99489 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19290 | 0.96 | KDR (0.61) | KDRCHEK1RAB9ANPC1AURKA | |
| Phosphoric Acid SCHEMBL9660622 | 0.88 | KDR (0.49) | KDRCHEK1RAB9ANPC1AURKA | |
| Acetic Acid SCHEMBL10322226 | 0.87 | KDR (0.51) | KDRCHEK1RAB9ANPC1AURKA | |
| SCHEMBL11232109 | 0.86 | KDR (0.50) | KDRCHEK1RAB9ANPC1AURKA | |
| SCHEMBL7797202 | 0.77 | AURKA (0.51) | KDRAURKAPDGFRBCA2MEN1 | |
| SCHEMBL3613185 | 0.77 | KDR (0.54) | KDRCHEK1RAB9ANPC1AURKA | |
| SCHEMBL8553951 | 0.76 | KDM4E (0.51) | KDRCHEK1RAB9ANPC1MEN1 | |
| B-D-Galactose SCHEMBL9643504 | 0.76 | ADK (0.43) | KDRCHEK1 | |
| SCHEMBL3738061 | 0.75 | KDR (0.65) | KDRCHEK1RAB9ANPC1AURKA | |
| SCHEMBL1618522 | 0.74 | KDR (0.64) | KDRCHEK1RAB9ANPC1AURKA |
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-0766825-B1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | KATSILOMETES GEORGE W (US) | 2008-05-28 | — | — | EP | claimed |
| EP-0766825-B1 | PREPARATION OF DERIVATIZED 10,10'-SUBSTITUTED-9,9'-BIACRIDINE LUMINESCENT MOLECULES AND SIGNAL SOLUTIONS | KATSILOMETES GEORGE W (US) | 2008-05-28 | — | — | EP | disclosed |