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 | 6/20 | 0.49 |
| ▸ | CA1 known ✓ | P00915 | 5/20 | 0.49 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.38 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.37 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.41 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4360179 | 0.86 | CYP3A4 (0.47) | CA2CA1CYP3A4SMN1; SMN2LCK | |
| SCHEMBL3495478 | 0.85 | LCK (0.63) | CA2CA1CYP3A4SMN1; SMN2LCK | |
| SCHEMBL4360176 | 0.85 | CYP3A4 (0.46) | CA2CA1CYP3A4SMN1; SMN2LCK | |
| SCHEMBL8439596 | 0.83 | LCK (0.61) | CYP3A4SMN1; SMN2LCKFYNL3MBTL1 | |
| SCHEMBL7558525 | 0.82 | CA1 (0.63) | CA2CA1CYP3A4SMN1; SMN2L3MBTL1 | |
| SCHEMBL7714609 | 0.82 | LCK (0.56) | CA2CA1SMN1; SMN2LCKFYN | |
| SCHEMBL258409 | 0.82 | LCK (0.61) | CA2CA1SMN1; SMN2LCKFYN | |
| SCHEMBL6347692 | 0.82 | CA1 (0.63) | CA2CA1CYP3A4SMN1; SMN2L3MBTL1 | |
| SCHEMBL11228135 | 0.82 | GAA (0.52) | CA2CA1CYP3A4SMN1; SMN2L3MBTL1 | |
| SCHEMBL668513 | 0.82 | CYP19A1 (0.52) | CA2CA1CYP3A4SMN1; SMN2L3MBTL1 |
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-5986066-A | BIOMOLECULAR COATING ON SURFACE FOR ANALYZING SENSORY LAYERS SENSORY LAYERS | ROCHE DIAGNOSTICS CORPORATION (US) | 1999-11-16 | — | — | US | disclosed |