Known targets — ChEMBL curated mechanism
GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 3/20 | 0.42 |
| ▸ | CDC25A | P30304 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.39 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.39 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | PTAFR | P25105 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL37425 | 0.83 | FDPS (0.49) | FDPSCYP3A4L3MBTL1ALDH1A1 | |
| SCHEMBL9501736 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL11321508 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL9562149 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL8337002 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL9628276 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL11437384 | 0.71 | AKT1 (0.72) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL3072185 | 0.71 | AKT1 (0.55) | AKT1CDC25ALMNAESR1ADORA3 | |
| SCHEMBL3980071 | 0.71 | FDPS (0.56) | FDPSLPAR3LPAR1 | |
| SCHEMBL10885706 | 0.71 | FDPS (0.56) | FDPSLPAR3LPAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4454007-A | CARBON DISPERSED IN A DIELECTRIC POLYMER, PARTIALLYL INTERDIFFUSED WITH MEMBRANE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-06-12 | — | — | US | disclosed |