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 | |
|---|---|---|---|---|
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.39 |
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.38 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.38 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.38 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.38 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.38 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.38 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.38 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.38 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.38 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.38 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.38 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.38 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.38 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.38 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL10994382 | 0.89 | LMNA (0.57) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| SCHEMBL10782548 | 0.89 | LMNA (0.68) | LMNAKDM4ESMN1; SMN2CYP1A2KMT2A | |
| SCHEMBL10788067 | 0.87 | LMNA (0.55) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| Water SCHEMBL10789927 | 0.86 | LMNA (0.54) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| Water SCHEMBL11179559 | 0.84 | LMNA (0.52) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| Water SCHEMBL10784212 | 0.84 | LMNA (0.54) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| Water SCHEMBL10784171 | 0.84 | LMNA (0.54) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A | |
| Nadifloxacin SCHEMBL966009 | 0.82 | LMNA (0.82) | LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| Nadifloxacin SCHEMBL3972619 | 0.80 | LMNA (0.82) | LMNAKDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| Water SCHEMBL10847157 | 0.79 | LMNA (0.54) | LMNAKDM4ESMN1; SMN2CYP1A2PDE4A |
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-4691016-A | MICROBIOCIDES, 8-AMINO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H-BENZO(IJ)QUINOLIZINE-2 -CARBOXYLIC ACID | RIKER LABORATORIES, INC. (US) | 1987-09-01 | — | — | US | disclosed |
| US-4556713-A | INTERMEDIATES TO FORM 8-HALO-6,7-DIHYDRO-9-FLUORO-5-METHYL-1-OXO-1H,5H,BENZO(I5)QUINOLIZINE-2 -CARBOXYLIC ACIDS, ANTIMICROBIALS | RIKER LABORATORIES, INC. (US) | 1985-12-03 | — | — | US | disclosed |
| US-4524148-A | BACTERICIDES | RIKER LABORATORIES, INC. (US) | 1985-06-18 | — | — | US | disclosed |