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 | |
|---|---|---|---|---|
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.36 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.32 |
| ▸ | EDNRA known ✓ | P25101 | 1/20 | 0.31 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.30 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.30 |
| ▸ | DUSP5 | Q16690 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | INPPL1 | O15357 | 1/20 | 0.32 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | GAK | O14976 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1603107 | 0.82 | CA1 (0.40) | TUBB1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL7595797 | 0.81 | INPPL1 (0.34) | TUBB1TDP1TSHRGAAKMT2A | |
| SCHEMBL6932679 | 0.79 | GAA (0.33) | TUBB1TDP1TSHRGAAKMT2A | |
| Potassium Ion SCHEMBL31286211 | 0.78 | CA1 (0.40) | TUBB1TSHRGAAKMT2AALDH1A1 | |
| Potassium Ion SCHEMBL9360690 | 0.78 | CA1 (0.40) | TUBB1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL6934631 | 0.77 | DUSP5 (0.50) | DUSP5TUBB1TDP1TSHREDNRA | |
| SCHEMBL11261589 | 0.73 | IDO1 (0.39) | TDP1TSHRGAAKMT2AALDH1A1 | |
| SCHEMBL6934493 | 0.69 | S1PR3 (0.42) | DUSP5GAAKMT2AALDH1A1POLB | |
| SCHEMBL9514837 | 0.69 | CA1 (0.47) | SMN1; SMN2 | |
| Potassium Ion SCHEMBL11260722 | 0.69 | IDO1 (0.39) | TDP1TSHRGAAKMT2AALDH1A1 |
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-20030162866-A1 | Compositions based on phenolic derivatives and their use as mineral binder additives | RHODIA CHIMIE (FR) | 2003-08-28 | — | — | US | disclosed |