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 | 1/20 | 0.43 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.43 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.43 |
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.39 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.39 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.39 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL435691 | 0.95 | — | — | |
| SCHEMBL5568270 | 0.84 | DEGS1 (0.46) | KMT2AMAPTPDE10A | |
| SCHEMBL11411731 | 0.83 | LTA4H (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27855421 | 0.81 | RXFP1 (0.51) | DYRK1AGRM5PDE10A | |
| SCHEMBL22164605 | 0.80 | — | — | |
| SCHEMBL30981638 | 0.80 | — | — | |
| SCHEMBL3265456 | 0.78 | DYRK1A (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5562315 | 0.77 | CHRNB2 (0.35) | DYRK1AKMT2ATGFBR1MAPTCHRNB1 | |
| SCHEMBL19853587 | 0.77 | MBOAT4 (0.42) | MAPTPDE10A | |
| SCHEMBL16838833 | 0.77 | APP (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993021158-A1 | PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS | MERCK FROSST CANADA INC. (CA) | 1993-10-28 | — | — | WO | disclosed |