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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.44 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.44 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.39 |
| ▸ | P2RY12 known ✓ | Q9H244 | 1/20 | 0.39 |
| ▸ | CA12 known ✓ | O43570 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | F2 | P00734 | 3/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | FABP3 | P05413 | 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 | |
|---|---|---|---|---|
| SCHEMBL2922035 | 0.88 | ALOX15 (0.55) | ALOX15CA1CA2MMP1MMP2 | |
| Lithium Ion SCHEMBL3466129 | 0.84 | ALOX15 (0.55) | ALOX15CA1CA2MMP1MMP2 | |
| Potassium Ion SCHEMBL28707221 | 0.84 | ALOX15 (0.55) | ALOX15CA1CA2MMP1MMP2 | |
| SCHEMBL38634 | 0.82 | CA1 (0.58) | ALOX15F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28898922 | 0.82 | DUSP5 (0.44) | CA1CA2CA9DUSP5NR4A1 | |
| SCHEMBL11121502 | 0.81 | F2 (0.45) | ALOX15F2PRSS1PRSS2PRSS3 | |
| SCHEMBL4315002 | 0.81 | KDM4E (0.38) | ALOX15F2PRSS1PRSS2PRSS3 | |
| SCHEMBL31455795 | 0.80 | F2 (0.47) | ALOX15F2PRSS1PRSS2PRSS3 | |
| Terephthalic Acid SCHEMBL7867065 | 0.79 | CA2 (0.48) | ALOX15CA1CA2ALDH1A1CA9 | |
| SCHEMBL18492465 | 0.79 | DUSP5 (0.36) | ALOX15CA1CA2CA9DUSP5 |
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-5567758-A | SULFONATED END GROUPS; EXCELLENT CRYSTALLIZATION | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1996-10-22 | — | — | US | disclosed |