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 | |
|---|---|---|---|---|
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.43 |
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.35 |
| ▸ | CCKBR | P32239 | 8/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LOX | P28300 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616366 | 0.97 | CCKBR (0.51) | CCKBRHPGDOPRK1PDE4DHTR7 | |
| SCHEMBL7044712 | 0.82 | HPGD (0.53) | CCKBRHPGDOPRK1PDE4DHTR7 | |
| SCHEMBL8635136 | 0.80 | NPC1 (0.52) | CCKBRHPGDOPRK1PDE4DHTR7 | |
| SCHEMBL8616731 | 0.78 | CCKBR (0.51) | CCKBRHPGDOPRK1PDE4DHTR7 | |
| SCHEMBL8639633 | 0.78 | KMT2A (0.62) | CCKBRHPGDOPRK1PDE4DHTR7 | |
| SCHEMBL4422153 | 0.76 | HPGD (0.74) | HPGDOPRK1PDE4DMEN1KMT2A | |
| SCHEMBL8543405 | 0.74 | CCKBR (0.60) | CCKBR | |
| SCHEMBL11559256 | 0.74 | OPRK1 (0.70) | CCKBRHPGDOPRK1PDE4DMEN1 | |
| SCHEMBL30087538 | 0.74 | OPRK1 (0.70) | CCKBRHPGDOPRK1PDE4DMEN1 | |
| SCHEMBL5398736 | 0.73 | HPGD (0.53) | CCKBRHPGDOPRK1PDE4DMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993014074-A1 | 1,5-BENZODIAZEPINE DERIVATIVES AND THEIR USE IN MEDICINE | GLAXO SPA (IT) | 1993-07-22 | — | — | WO | disclosed |