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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2572762 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| 2-Pyridinecarboxaldehyde SCHEMBL9846765 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL5973929 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL28389066 | 0.81 | PTGS1 (0.54) | ALDH1A1MAPTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL707731 | 0.80 | NPC1 (0.64) | ALDH1A1MAPTKDM4ELMNASMN1; SMN2 | |
| SCHEMBL707730 | 0.80 | NPC1 (0.64) | ALDH1A1MAPTKDM4ELMNASMN1; SMN2 | |
| Dipyridyl SCHEMBL17165043 | 0.79 | KDM4E (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| Dipyridyl SCHEMBL31482442 | 0.79 | KDM4E (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL6264410 | 0.77 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA | |
| SCHEMBL11610034 | 0.77 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4ETDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2381967-B1 | SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF | AVID RADIOPHARMACEUTICALS INC (US) | 2017-01-18 | — | — | EP | disclosed |
| EP-2381967-A1 | SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF | Avid Radiopharmaceuticals, Inc. (US) | 2011-11-02 | — | — | EP | disclosed |
| WO-2010078370-A1 | SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF | AVID RADIOPHARMACEUTICALS, INC. (US) | 2010-07-08 | — | — | WO | disclosed |
| US-20100172836-A1 | SYNTHESIS OF 18F-RADIOLABELED STYRYLPYRIDINES FROM TOSYLATE PRECURSORS AND STABLE PHARMACEUTICAL COMPOSITIONS THEREOF | AVID RADIOPHARMACEUTICALS, INC. (US) | 2010-07-08 | — | — | US | disclosed |