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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 6/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | MITF | O75030 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.56 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 3/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | CASP7 | P55210 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29703809 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL29881659 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL3870643 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL8411322 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Lithium Ion SCHEMBL5874911 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Potassium Ion SCHEMBL9017417 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL9808578 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL10800186 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| Zinc Ion SCHEMBL5964694 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL6697934 | 0.96 | MEN1 (0.56) | KDM4EALDH1A1HPGDMEN1KMT2A |
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-5543564-A | Process for releasing acidic organic compounds from salts thereof by carbon dioxide | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |