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 | 1/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | AGER | Q15109 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10631509 | 0.96 | KDM4E (0.47) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL30639807 | 0.81 | KDM4E (0.63) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL28423254 | 0.79 | ALDH1A1 (0.40) | KDM4EALDH1A1HPGDTDP1CYP3A4 | |
| Quinolinic Acid SCHEMBL3425488 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| Quinolinic Acid SCHEMBL29358561 | 0.79 | KDM4E (0.53) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL107538 | 0.78 | NAPRT (0.67) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL29514689 | 0.78 | NAPRT (0.67) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL30137348 | 0.78 | LMNA (0.66) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| SCHEMBL28529875 | 0.78 | LMNA (0.66) | KDM4EALDH1A1HPGDTDP1L3MBTL1 | |
| 2-Mercaptonicotinic Acid SCHEMBL29105768 | 0.78 | KDM4E (0.45) | KDM4EALDH1A1HPGDTDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115433122-A | Preparation method of 6-fluoronicotinic acid | 大连双硼医药化工有限公司 | 2022-12-06 | — | — | CN | disclosed |
| US-6200672-B1 | METAL SHEET IS COATED WITH A COMPLEX AND/OR SALT OF A RARE EARTH METAL AND ORGANIC COMPOUND, E.G CATECHOL, PYRIDINE-CARBOXYLIC ACID, AND A MATRIX WHICH PHYSICALLY HOLDS THE ABOVE AND HAS ADHESION FOR METAL; CORROSION RESISTANCE | NIPPON STEEL CORPORATION (JP) | 2001-03-13 | — | — | US | disclosed |