Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28623924 | 0.83 | HTR6 (0.46) | CYP2D6HTR6KDM4EACKR3ALDH1A1 | |
| SCHEMBL4121322 | 0.81 | DRD1 (0.46) | CYP2D6HTR6KDM4ETSHRADRA2A | |
| SCHEMBL10700911 | 0.80 | CYP2D6 (0.46) | CYP2D6KDM4ETSHRALDH1A1HSD17B10 | |
| SCHEMBL27031271 | 0.79 | HTR6 (0.47) | CYP2D6HTR6ACKR3ADRA2ACYP1A2 | |
| SCHEMBL803674 | 0.78 | CYP1A2 (0.62) | HTR6ADRA2ACYP1A2ALDH1A1 | |
| SCHEMBL7891041 | 0.78 | CYP1A2 (0.62) | HTR6ADRA2ACYP1A2ALDH1A1 | |
| SCHEMBL10359413 | 0.78 | CYP1A2 (0.62) | HTR6ADRA2ACYP1A2ALDH1A1 | |
| SCHEMBL9676145 | 0.77 | HTR6 (0.46) | CYP2D6HTR6CYP1A2 | |
| SCHEMBL24837421 | 0.76 | CYP1A2 (0.66) | HTR6ADRA2ACYP1A2ALDH1A1 | |
| Bromide SCHEMBL27620628 | 0.76 | CYP1A2 (0.60) | HTR6ADRA2ACYP1A2ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0521353-B1 | Antineoplastic medicament containing octadecyl-[2-(N-methylpiperidino)-ethyl] phosphate and synthesis thereof | ASTA MEDICA AG (DE) | 1996-04-17 | — | — | EP | disclosed |
| CN-1030658-C | Octadecyl(2-(N-methyl-priperidino)-ethyl)-phosphate and process for its preparation | ASTA MEDICA AG (DE) | 1996-01-10 | — | — | CN | disclosed |
| US-5219866-A | Antitumor agents | ASTA MEDICA AG (DE) | 1993-06-15 | — | — | US | disclosed |
| CN-1068119-A | Octadecyl-[2-(N-methyl piperidine subbase)-ethyl]-phosphoric acid ester and preparation method thereof | ATSA MEDICA AG (DE) | 1993-01-20 | — | — | CN | disclosed |
| EP-0521353-A1 | Antineoplastic medicament containing octadecyl-[2-(N-methylpiperidino)-ethyl] phosphate and synthesis thereof | ASTA Medica Aktiengesellschaft (DE) | 1993-01-07 | — | — | EP | disclosed |