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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 4/20 | 0.58 |
| ▸ | CA2 known ✓ | P00918 | 3/20 | 0.41 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6680256 | 1.00 | CA1 (0.58) | CA1BBOX1TSHRCA2FFAR3 | |
| SCHEMBL4229227 | 0.78 | MEN1 (0.39) | CA1CA2HDAC3HDAC1HDAC2 | |
| Water SCHEMBL28240439 | 0.77 | GABRP (0.50) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL7905759 | 0.77 | — | — | |
| SCHEMBL35490 | 0.77 | — | — | |
| SCHEMBL24083670 | 0.77 | — | — | |
| SCHEMBL4448500 | 0.76 | — | — | |
| SCHEMBL17389299 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7043007 | 0.76 | GABRP (0.48) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL5050240 | 0.76 | GABRP (0.48) | TSHRFFAR3HDAC3HDAC1HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7318995-B2 | Heating precusor to induce coalescence of polymer particles at exposed areas of coating; developing by applying a gum solution, removing non-exposed areas of coating from support | AGFA GRAPHICS NV (BE) | 2008-01-15 | — | — | US | disclosed |
| EP-1642714-B1 | Method of making a negative-working lithographic printing plate. | AGFA GRAPHICS NV (BE) | 2007-10-24 | — | — | EP | disclosed |
| US-20060073418-A1 | Heating precusor to induce coalescence of polymer particles at exposed areas of coating; developing by applying a gum solution, removing non-exposed areas of coating from support | AGFA-GEVAERT (BE) | 2006-04-06 | — | — | US | disclosed |
| EP-1642714-A1 | Method of making a negative-working lithographic printing plate. | Agfa-Gevaert (BE) | 2006-04-05 | — | — | EP | disclosed |