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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4373441 | 0.96 | TSHR (0.37) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL4379120 | 0.78 | TSHR (0.36) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11656664 | 0.78 | TSHR (0.36) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL31325992 | 0.77 | TSHR (0.44) | TSHRKDM4EALDH1A1HSD17B10MGAM | |
| Hydrochloric Acid SCHEMBL11658513 | 0.77 | KDM4E (0.38) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11307490 | 0.76 | TSHR (0.37) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL25092225 | 0.76 | CTSK (0.31) | KDM4EALDH1A1CYP1A2 | |
| SCHEMBL11727365 | 0.76 | TSHR (0.33) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL11730596 | 0.73 | TSHR (0.34) | TSHRKDM4EALDH1A1CYP1A2HSD17B10 | |
| SCHEMBL8892122 | 0.73 | — | — |
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 4 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 |
| EP-1722795-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | Allergan, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006058080-A1 | TREATMENT OF INFLAMMATORY BOWEL DISEASE | ALLERGAN, INC. (US) | 2006-06-01 | — | — | WO | disclosed |
| WO-2005072735-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | ALLERGAN, INC. (US) | 2005-08-11 | — | — | WO | disclosed |