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 | |
|---|---|---|---|---|
| ▸ | SCN4A known ✓ | P35499 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.39 |
| ▸ | PI4KA | P42356 | 3/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.39 |
| ▸ | PIP5K1C | O60331 | 2/20 | 0.39 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27692947 | 1.00 | RAB9A (0.46) | RAB9ANPC1SCN4ASMN1; SMN2CYP3A4 | |
| SCHEMBL9364323 | 1.00 | RAB9A (0.46) | RAB9ANPC1SCN4ASMN1; SMN2CYP3A4 | |
| SCHEMBL9648060 | 0.91 | RAB9A (0.47) | RAB9ANPC1SCN4ASMN1; SMN2CYP3A4 | |
| SCHEMBL9364334 | 0.91 | RAB9A (0.47) | RAB9ANPC1SCN4ASMN1; SMN2CYP3A4 | |
| SCHEMBL9620028 | 0.77 | RAB9A (0.53) | RAB9ANPC1SCN4ASMN1; SMN2CYP3A4 | |
| SCHEMBL11226776 | 0.73 | CA1 (0.40) | RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL9302453 | 0.73 | CA1 (0.40) | RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL11354752 | 0.73 | SMN1; SMN2 (0.34) | SMN1; SMN2CYP1A2CYP2C19CYP2C9KMT2A | |
| SCHEMBL11849723 | 0.72 | ALDH1A1 (0.41) | RAB9ANPC1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL11346967 | 0.72 | TSHR (0.46) | CYP3A4KMT2ALMNAMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5171854-A | Antibiotics | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-15 | — | — | US | disclosed |
| US-4980348-A | HETEROANELLATED PHENYLGLYCINE-BETA-LACTAM ANTIBIOTICS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | US | disclosed |