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 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9196783 | 0.77 | MEN1 (0.47) | MEN1ALDH1A1TSHRKMT2ATSSK1B | |
| SCHEMBL1695398 | 0.76 | MEN1 (0.39) | MEN1ALDH1A1TSHRKMT2ATSSK1B | |
| SCHEMBL364400 | 0.74 | — | — | |
| SCHEMBL28098009 | 0.74 | — | — | |
| SCHEMBL8441359 | 0.72 | MEN1 (0.35) | MEN1ALDH1A1TSHRKMT2ATSSK1B | |
| SCHEMBL3424155 | 0.72 | TSHR (0.35) | MEN1ALDH1A1TSHRKMT2ATSSK1B | |
| SCHEMBL9004853 | 0.72 | MEN1 (0.35) | MEN1ALDH1A1TSHRKMT2ATSSK1B | |
| SCHEMBL1280536 | 0.72 | — | — | |
| Sulfuric Acid SCHEMBL18335414 | 0.70 | TP53 (0.50) | MEN1ALDH1A1TSHRKMT2ATP53 | |
| Sulfuric Acid SCHEMBL28159484 | 0.69 | ALDH1A1 (0.47) | MEN1ALDH1A1TSHRKMT2ATSSK1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111377798-B | Purification equipment and process of 3-methyl-3-butene-1-ol | 江苏苏博特新材料股份有限公司 | 2022-12-02 | — | — | CN | disclosed |
| EP-0453507-A1 | CHELATING AGENT DERIVATIVES | NYCOMED IMAGING AS (NO) | 1991-10-30 | — | — | EP | disclosed |
| WO-1990008134-A1 | CHELATING AGENT DERIVATIVES | NYCOMED AS (NO) | 1990-07-26 | — | — | WO | disclosed |