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 | |
|---|---|---|---|---|
| ▸ | NOD2 known ✓ | Q9HC29 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10657976 | 0.84 | OPRM1 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL6856240 | 0.84 | OPRM1 (0.42) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL5702318 | 0.79 | ALDH1A1 (0.40) | MEN1KMT2AMAPTALDH1A1TP53 | |
| SCHEMBL29398238 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL288272 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL43168 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL29350565 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL29350888 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| SCHEMBL288260 | 0.77 | GAA (0.58) | OPRM1OPRD1OPRK1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1202518 | 0.75 | GAA (0.56) | OPRM1OPRD1OPRK1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496369-B1 | Process for the preparation of racemic and optically active-1,2,3,4-tetrahydro isoquinoline 3-carboxylic acid and its precursors | HOECHST AG (DE) | 1996-04-03 | — | — | EP | disclosed |
| EP-0496369-A1 | Process for the preparation of racemic and optically active-1,2,3,4-tetrahydro isoquinoline 3-carboxylic acid and its precursors | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-29 | — | — | EP | disclosed |