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 | 7/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | HTR7 | P34969 | 4/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | HTT | P42858 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | DRD2 | P14416 | 4/20 | 0.60 |
| ▸ | DRD4 | P21917 | 4/20 | 0.60 |
| ▸ | HRH1 | P35367 | 4/20 | 0.60 |
| ▸ | DRD3 | P35462 | 4/20 | 0.60 |
| ▸ | HRH2 | P25021 | 3/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MPI | P34949 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131833 | 0.98 | KDM4E (0.71) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131826 | 0.94 | KDM4E (0.60) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131822 | 0.93 | KDM4E (0.74) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131901 | 0.92 | KDM4E (0.62) | KDM4EMAPTHTR7LMNAHTT | |
| Hydrochloric Acid SCHEMBL7689058 | 0.91 | KDM4E (0.71) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131927 | 0.87 | KDM4E (0.65) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131811 | 0.84 | KDM4E (0.78) | KDM4EMAPTHTR7LMNAHTT | |
| SCHEMBL6131779 | 0.84 | KDM4E (0.64) | KDM4EMAPTHTR7LMNAHTT | |
| Hydrochloric Acid SCHEMBL6131976 | 0.82 | DRD2 (0.58) | KDM4EMAPTLMNAHTTTDP1 | |
| SCHEMBL6131926 | 0.82 | KDM4E (0.62) | KDM4EMAPTHTR7LMNAHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1032559-A4 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-1032559-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999016746-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-04-08 | — | — | WO | disclosed |