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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 known ✓ | P00742 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5249674 | 1.00 | TP53 (0.38) | TP53MDM2PTGER4P2RX7PTGER2 | |
| SCHEMBL4383662 | 0.98 | TP53 (0.39) | TP53MDM2PTGER4P2RX7PTGER2 | |
| SCHEMBL4383658 | 0.98 | TP53 (0.39) | TP53MDM2PTGER4P2RX7PTGER2 | |
| SCHEMBL4383655 | 0.98 | TP53 (0.39) | TP53MDM2PTGER4P2RX7PTGER2 | |
| SCHEMBL4389499 | 0.90 | PTGER4 (0.38) | PTGER4P2RX7PTGER2EPHX2 | |
| SCHEMBL4389493 | 0.90 | PTGER4 (0.38) | PTGER4P2RX7PTGER2EPHX2 | |
| SCHEMBL4389496 | 0.90 | PTGER4 (0.38) | PTGER4P2RX7PTGER2EPHX2 | |
| SCHEMBL4373151 | 0.89 | PTGER4 (0.39) | PTGER4P2RX7PTGER2HCRTR1HCRTR2 | |
| SCHEMBL4373158 | 0.89 | PTGER4 (0.39) | PTGER4P2RX7PTGER2HCRTR1HCRTR2 | |
| SCHEMBL4373155 | 0.89 | PTGER4 (0.39) | PTGER4P2RX7PTGER2HCRTR1HCRTR2 |
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-1817033-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | Allergan, Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006058080-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. (US) | 2006-06-01 | — | — | WO | disclosed |