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 | 2/20 | 0.66 |
| ▸ | CA1 known ✓ | P00915 | 2/20 | 0.66 |
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.66 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.66 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.66 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.47 |
| ▸ | DUSP6 | Q16828 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945232 | 0.96 | CA12 (0.60) | CA12CA1CA2CA7CA14 | |
| SCHEMBL1546679 | 0.79 | CA12 (0.66) | CA12CA1CA2CA7CA14 | |
| SCHEMBL29519756 | 0.79 | CA1 (1.00) | CA12CA1CA2CA7CA14 | |
| SCHEMBL29437178 | 0.79 | CA12 (0.66) | CA12CA1CA2CA7CA14 | |
| SCHEMBL2011443 | 0.79 | CA1 (1.00) | CA12CA1CA2CA7CA14 | |
| SCHEMBL2634017 | 0.79 | CA1 (0.66) | CA12CA1CA2CA7CA14 | |
| SCHEMBL12828070 | 0.79 | CA12 (0.66) | CA12CA1CA2CA7CA14 | |
| SCHEMBL28623672 | 0.78 | DUSP5 (0.61) | CA12CA1CA2CA7CA14 | |
| SCHEMBL7909287 | 0.78 | CA1 (0.63) | CA12CA1CA2CA7CA14 | |
| Hydrochloric Acid SCHEMBL4235994 | 0.78 | CA1 (0.63) | CA12CA1CA2CA7CA14 |
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-6217855-B1 | ELASTICITY | KAO CORPORATION (JP) | 2001-04-17 | — | — | US | disclosed |