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 | |
|---|---|---|---|---|
| ▸ | ADORA1 known ✓ | P30542 | 4/20 | 0.43 |
| ▸ | ADORA2B known ✓ | P29275 | 3/20 | 0.43 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.36 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10462403 | 0.90 | ALDH1A1 (0.47) | ALDH1A1ADORA1KDM4EMTNR1AMTNR1B | |
| SCHEMBL10463989 | 0.88 | ALDH1A1 (0.50) | ALDH1A1ADORA1ADORA2BKDM4EESR1 | |
| SCHEMBL10463272 | 0.87 | ALDH1A1 (0.49) | ALDH1A1ADORA1ADORA2BKDM4EESR1 | |
| SCHEMBL10462654 | 0.82 | HPGD (0.48) | ALDH1A1ADORA2BKDM4EHPGDGAA | |
| SCHEMBL10463381 | 0.79 | CNR2 (0.45) | ALDH1A1KDM4EHPGDPOLBMEN1 | |
| SCHEMBL10596766 | 0.77 | ALDH1A1 (0.50) | ALDH1A1ADORA1ADORA2BKDM4EMTNR1A | |
| SCHEMBL10462928 | 0.77 | HPGD (0.46) | ALDH1A1ADORA1ADORA2BKDM4EHPGD | |
| SCHEMBL10462123 | 0.77 | HPGD (0.43) | ALDH1A1ADORA2BKDM4EHPGDGAA | |
| SCHEMBL10464021 | 0.77 | ALDH1A1 (0.57) | ALDH1A1ADORA1KDM4EMTNR1AMTNR1B | |
| SCHEMBL10462405 | 0.76 | ALDH1A1 (0.56) | ALDH1A1ADORA1KDM4EMTNR1AMTNR1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4964896-A | GAMETOCIDES | MONSANTO COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| US-4936904-A | Aryl-4-oxonicotinates useful for inducing male sterility in cereal grain plants | MONSANTO TECHNOLOGY LLC | 1990-06-26 | — | — | US | disclosed |
| US-4714492-A | HYBRIDIZATION AGENTS | ROHM AND HAAS COMPANY (US) | 1987-12-22 | — | — | US | disclosed |