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 | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.44 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.44 |
| ▸ | PTGS2 known ✓ | P35354 | 4/20 | 0.32 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.31 |
| ▸ | TSHR | P16473 | 3/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11115185 | 0.88 | CISD1 (0.39) | PDE4DPDE3ACISD1MAPK1 | |
| SCHEMBL11117711 | 0.85 | ALDH1A1 (0.42) | CISD1PTGS2PKMTSHRMAPK1 | |
| SCHEMBL11231644 | 0.79 | CISD1 (0.52) | PDE4DPDE3ACISD1PTGS2PKM | |
| SCHEMBL10963109 | 0.79 | CISD1 (0.68) | PDE4DPDE3ACISD1PKMKDM4C | |
| SCHEMBL11223169 | 0.77 | CISD1 (0.46) | PDE4DPDE3ACISD1PTGS2PKM | |
| SCHEMBL10962960 | 0.77 | CISD1 (0.50) | PDE4DPDE3ACISD1PTGS2PKM | |
| Sulfuric Acid SCHEMBL11159036 | 0.73 | CISD1 (0.45) | PDE4DPDE3ACISD1PTGS2PKM | |
| SCHEMBL11075618 | 0.69 | CISD1 (0.39) | PDE4DPDE3ACISD1MAPK1 | |
| SCHEMBL11075622 | 0.69 | CISD1 (0.39) | PDE4DPDE3ACISD1MAPK1 | |
| SCHEMBL11077269 | 0.67 | ALDH1A1 (0.42) | PDE4DPDE3ACISD1PKMTSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |