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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | DHODH | Q02127 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 7/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | PPIA | P62937 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10094254 | 0.81 | RAB9A (0.54) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL27800317 | 0.75 | DHODH (0.56) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL9838484 | 0.74 | RAB9A (0.54) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL9837351 | 0.74 | RAB9A (0.57) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL16616388 | 0.72 | RAB9A (0.76) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL9469395 | 0.71 | DHODH (1.00) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL9469649 | 0.70 | MEN1 (0.72) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL28824933 | 0.70 | RAB9A (0.76) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| SCHEMBL29898323 | 0.70 | RAB9A (0.76) | RAB9ASMN1; SMN2MEN1KMT2ADHODH | |
| Acetic Acid SCHEMBL9837355 | 0.69 | RAB9A (0.58) | RAB9ASMN1; SMN2MEN1KMT2ADHODH |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0419561-A1 | HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY | SCHERING CORPORATION (US) | 1991-04-03 | — | — | EP | claimed |
| WO-1989012637-A1 | HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY | SCHERING CORPORATION (US) | 1989-12-28 | — | — | WO | claimed |
| EP-0347698-A1 | Heterobicyclic compounds having antiinflammatory activity | SCHERING CORPORATION (US) | 1989-12-27 | — | — | EP | claimed |
| EP-0419561-A1 | HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY | SCHERING CORPORATION (US) | 1991-04-03 | — | — | EP | disclosed |
| WO-1989012637-A1 | HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY | SCHERING CORPORATION (US) | 1989-12-28 | — | — | WO | disclosed |