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 | |
|---|---|---|---|---|
| ▸ | CA1 known ✓ | P00915 | 1/20 | 0.46 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | TOP2A | P11388 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | PIK3CG | P48736 | 7/20 | 0.49 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.49 |
| ▸ | PIK3R1 | P27986 | 5/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9733917 | 1.00 | KDM4E (0.58) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Potassium Ion SCHEMBL9734605 | 0.98 | KDM4E (0.58) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Potassium Ion SCHEMBL9734609 | 0.98 | KDM4E (0.58) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9736411 | 0.90 | KDM4E (0.72) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9734255 | 0.90 | KDM4E (0.72) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9735289 | 0.90 | KDM4E (0.72) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9734106 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9734104 | 0.86 | KDM4E (0.57) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| Ciprofloxacin SCHEMBL1973499 | 0.84 | KDM4E (0.81) | KDM4EALDH1A1LMNAHPGDHSD17B10 | |
| SCHEMBL9734026 | 0.84 | KDM4E (0.58) | KDM4EALDH1A1LMNAHPGDHSD17B10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5153204-A | Bactericides, animal growth promoters | BAYER AKTIENGESELLSCHAFT (DE) | 1992-10-06 | — | — | US | disclosed |
| EP-0235676-B1 | 7-(1-PYRROLIDINYL)QUINOLONE-CARBOXYLIC-ACID DERIVATIVES | BAYER AG (DE) | 1990-06-13 | — | — | EP | disclosed |
| US-4820716-A | ANIMAL GROWTH REGULATORS, BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1989-04-11 | — | — | US | disclosed |
| EP-0235676-A2 | 7-(1-Pyrrolidinyl)quinolone-carboxylic-acid derivatives | BAYER AG (DE) | 1987-09-09 | — | — | EP | disclosed |