Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 4/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CLK2 | P49760 | 1/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.49 |
| ▸ | TOP2A | P11388 | 5/20 | 0.47 |
| ▸ | TOP2B | Q02880 | 5/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Moxifloxacin SCHEMBL14655742 | 0.92 | KDM4E (0.81) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| Pradofloxacin SCHEMBL7975579 | 0.92 | KDM4E (0.63) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL8740994 | 0.91 | ALDH1A1 (0.75) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL6213714 | 0.91 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL8982731 | 0.90 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL30353205 | 0.90 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL8982729 | 0.90 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| SCHEMBL6215890 | 0.90 | ALDH1A1 (0.81) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL8982747 | 0.89 | ALDH1A1 (0.83) | ALDH1A1KDM4EHPGDHSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL8740956 | 0.89 | ALDH1A1 (0.83) | ALDH1A1KDM4EHPGDHSD17B10MEN1 |
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-5607942-A | BACTERICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-03-04 | — | — | US | disclosed |
| US-5059597-A | Animal growth regulators; enterobacter | BAYER AKTIENGESELLSCHAFT (DE) | 1991-10-22 | — | — | US | disclosed |
| US-4990517-A | 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-05 | — | — | US | disclosed |