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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.50 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.50 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | BACE1 | P56817 | 3/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5744519 | 0.87 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2HTR6SMN1; SMN2 | |
| SCHEMBL5745819 | 0.87 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2HTR6SMN1; SMN2 | |
| SCHEMBL6982309 | 0.87 | ALDH1A1 (0.57) | ALDH1A1SPHK1SPHK2HTR6SMN1; SMN2 | |
| SCHEMBL5743307 | 0.81 | ALDH1A1 (0.69) | ALDH1A1SPHK1SPHK2HTR6SMN1; SMN2 | |
| SCHEMBL5744568 | 0.80 | SMN1; SMN2 (0.58) | ALDH1A1HTR6SMN1; SMN2LMNATSHR | |
| SCHEMBL5744592 | 0.79 | ALDH1A1 (0.66) | ALDH1A1SPHK1SPHK2SMN1; SMN2BCHE | |
| SCHEMBL5743125 | 0.79 | ALDH1A1 (0.66) | ALDH1A1SPHK1SPHK2SMN1; SMN2BCHE | |
| SCHEMBL5746062 | 0.78 | LMNA (0.53) | ALDH1A1HTR6SMN1; SMN2BCHELMNA | |
| SCHEMBL10272308 | 0.78 | ALDH1A1 (0.57) | ALDH1A1BCHELMNAACHEBACE1 | |
| SCHEMBL13479261 | 0.78 | ALDH1A1 (0.57) | ALDH1A1BCHELMNAACHEBACE1 |
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-0942068-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-BENZYL-3-PYRROLIDINOL | KANEKA CORP (JP) | 2004-08-25 | — | — | EP | disclosed |
| EP-0942068-A4 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-BENZYL-3-PYRROLIDINOL | KANEKA CORP (JP) | 2000-10-11 | — | — | EP | disclosed |
| EP-0942068-A1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE N-BENZYL-3-PYRROLIDINOL | KANEKA CORPORATION (JP) | 1999-09-15 | — | — | EP | disclosed |