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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.31 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2331546 | 0.80 | AR (0.37) | CYP2D6PTGS2PTGS1LMNAMAPT | |
| SCHEMBL1541561 | 0.69 | CYP2D6 (0.50) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL13272647 | 0.68 | CA1 (0.49) | LMNAMAPTALDH1A1SMN1; SMN2TSHR | |
| Fluoromethane SCHEMBL20577007 | 0.67 | GAA (0.56) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL1705904 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL11432043 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL31313 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL34 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| P-Xylene SCHEMBL8660591 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 | |
| SCHEMBL5068661 | 0.67 | GAA (0.62) | CYP2D6LMNAMAPTHTTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0390135-B1 | Pyrroloquinoline derivatives, antimicrobial agents using the same and process for preparing the same | OTSUKA PHARMA CO LTD (JP) | 1996-06-05 | — | — | EP | disclosed |
| US-5185337-A | Pyrroloquinoline derivatives and pharmaceutical compositions for antimicrobial use | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-02-09 | — | — | US | disclosed |