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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 known ✓ | O43570 | 10/20 | 0.37 |
| ▸ | CA1 known ✓ | P00915 | 10/20 | 0.37 |
| ▸ | CA2 known ✓ | P00918 | 10/20 | 0.37 |
| ▸ | P2RY4 known ✓ | P51582 | 1/20 | 0.34 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.31 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 8/20 | 0.37 |
| ▸ | CA7 | P43166 | 7/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 7/20 | 0.37 |
| ▸ | CA3 | P07451 | 6/20 | 0.37 |
| ▸ | CA6 | P23280 | 6/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.37 |
| ▸ | CA5A | P35218 | 5/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11117711 | 0.88 | ALDH1A1 (0.42) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11111306 | 0.88 | PDE4D (0.44) | CISD1MAPK1PDE4DPDE3A | |
| SCHEMBL11075622 | 0.80 | CISD1 (0.39) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11075618 | 0.80 | CISD1 (0.39) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11217820 | 0.76 | CISD1 (0.48) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL10962539 | 0.76 | CISD1 (0.66) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL10963452 | 0.74 | CISD1 (0.47) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11381881 | 0.71 | CA1 (0.51) | CISD1CA12CA1CA2CA9 | |
| Sulfuric Acid SCHEMBL11157508 | 0.70 | CA1 (0.50) | CISD1CA12CA1CA2CA9 | |
| SCHEMBL11077293 | 0.69 | ALDH1A1 (0.42) | CISD1CA12CA1CA2CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0051816-B1 | 5-PHENYLTETRAZOLES SUBSTITUTED BY BASIC GROUPS, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-05-02 | — | — | EP | disclosed |
| EP-0051816-A1 | 5-Phenyltetrazoles substituted by basic groups, method for their preparation and their use as drugs | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-05-19 | — | — | EP | disclosed |