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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 10/20 | 0.81 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.81 |
| ▸ | CA1 known ✓ | P00915 | 9/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.62 |
| ▸ | ATM | Q13315 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.54 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.54 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.54 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Benzoic Acid SCHEMBL823 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL27711371 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL28946409 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL29053363 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL29175054 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL431405 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL6123440 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| Benzoic Acid SCHEMBL16115635 | 0.90 | CA2 (1.00) | CA2CA4ALDH1A1CA1TDP1 | |
| SCHEMBL11128084 | 0.90 | CA2 (0.67) | CA2CA4SRD5A2CA1LMNA | |
| Benzoic Acid SCHEMBL5865919 | 0.87 | CA2 (0.94) | CA2CA4ALDH1A1CA1TDP1 |
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-6410610-B1 | ADIABATICALLY PHOTOPOLYMERIZATION | STOCKHAUSEN GMBH & CO. KG (DE) | 2002-06-25 | — | — | US | disclosed |