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 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9154578 | 0.85 | GAA (0.43) | LMNAALDH1A1HTTSMN1; SMN2KDM4E | |
| SCHEMBL4822999 | 0.81 | MAOA (0.41) | CYP2D6ALDH1A1SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL30923520 | 0.81 | MAOA (0.41) | CYP2D6ALDH1A1SMN1; SMN2L3MBTL1KMT2A | |
| Iodide SCHEMBL7694591 | 0.79 | MAOA (0.39) | CYP2D6ALDH1A1SMN1; SMN2L3MBTL1KMT2A | |
| SCHEMBL6535400 | 0.75 | VDR (0.36) | CYP2D6LMNANPSR1KMT2AMEN1 | |
| SCHEMBL2761584 | 0.73 | P2RX4 (0.44) | CYP2D6MAPK1LMNAALDH1A1HTT | |
| SCHEMBL8861416 | 0.72 | LMNA (0.37) | CYP2D6MAPK1LMNAALDH1A1HTT | |
| SCHEMBL11589285 | 0.71 | CYP2D6 (0.42) | CYP2D6MAPK1LMNAALDH1A1HTT | |
| Methylsulfanylmethane SCHEMBL29041147 | 0.69 | GAA (0.54) | CYP2D6MAPK1LMNAALDH1A1HTT | |
| SCHEMBL466633 | 0.69 | GAA (0.59) | CYP2D6MAPK1LMNAALDH1A1HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1634900-A | Method for preparing 3-methyl-2-benzothiazolinone hydrazone and its hydrochloride | UNIV FUDAN (CN) | 2005-07-06 | — | — | CN | disclosed |
| EP-0740689-B1 | SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY | MOLECULAR PROBES INC (US) | 2002-01-30 | — | — | EP | disclosed |
| US-5658751-A | SUBSTITUENTS ON PYRIDINIUM OR QUINOLINIUM RING SYSTEM SERVE TO INCREASE OR DECREASE PERMEABILITY, SELECTIVITY AND BINDING AFFINITY OF NUCLEIC ACID STAINS; FORM FLUORESCENT COMPLEXES WITH NUCLEIC ACIDS | MOLECULAR PROBES, INC. (US) | 1997-08-19 | — | — | US | disclosed |
| WO-1996013552-A2 | SUBSTITUTED UNSYMMETRICAL CYANINE DYES WITH SELECTED PERMEABILITY | MOLECULAR PROBES, INC. (US) | 1996-05-09 | — | — | WO | disclosed |
| EP-0467155-A1 | Blue spectral sensitizers for non-tabular silver halide elements | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-01-22 | — | — | EP | disclosed |