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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 known ✓ | P00918 | 2/20 | 0.52 |
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30643815 | 0.98 | CYP2C19 (0.64) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL76204 | 0.98 | CYP2C19 (0.64) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL1369959 | 0.96 | CYP2C19 (0.62) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL2527458 | 0.96 | CYP2C19 (0.62) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL27861234 | 0.96 | CYP2C19 (0.62) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL17154340 | 0.92 | CYP2C19 (0.58) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| P-Nitrophenol SCHEMBL26680187 | 0.91 | CA2 (0.68) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| Acetonitrile SCHEMBL29144707 | 0.88 | CYP1A2 (0.54) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL8927983 | 0.88 | CYP2C19 (0.54) | CYP2C19CYP1A2ALDH1A1TSHRMAPT | |
| SCHEMBL6246258 | 0.88 | SRD5A2 (0.58) | CYP2C19CYP1A2ALDH1A1MAPTKMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802888-B2 | Process for the preparation of trans 4-amino-cyclohexyl acetic acid ethyl ester HCl | RICHTER GEDEON NYRT. (HU) | 2014-08-12 | — | — | US | disclosed |
| US-20110288329-A1 | PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL | RICHTER GEDEON NYRT. (HU) | 2011-11-24 | — | — | US | disclosed |
| EP-2358661-A1 | PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL | Richter Gedeon Nyrt. (HU) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010070368-A1 | PROCESS FOR THE PREPARATION OF TRANS 4-AMINO-CYCLOHEXYL ACETIC ACID ETHYL ESTER HCL | RICHTER GEDEON NYRT. (HU) | 2010-06-24 | — | — | WO | disclosed |
| EP-0152475-B1 | PHOTOPOLYMERIZABLE COMPOSITIONS | POLAROID CORPORATION (US) | 1987-11-25 | — | — | EP | disclosed |
| US-4696876-A | POLYETHYLENIMINE, LITHIUM ACRYLATE | POLAROID CORPORATION (US) | 1987-09-29 | — | — | US | disclosed |
| US-4588664-A | BRANCHED POLYETHYLENIMINE PHOTOINITIATOR | POLAROID CORPORATION (US) | 1986-05-13 | — | — | US | disclosed |
| EP-0152475-A1 | PHOTOPOLYMERIZABLE COMPOSITIONS. | POLAROID CORP (US) | 1985-08-28 | — | — | EP | disclosed |
| WO-1985001127-A1 | PHOTOPOLYMERIZABLE COMPOSITIONS | POLAROID CORPORATION (US) | 1985-03-14 | — | — | WO | disclosed |