Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Aziridine. 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 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP8 | P22894 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL5875357 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Piperazine SCHEMBL7635861 | 0.98 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Pyrrolidine SCHEMBL2531422 | 0.94 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Azetidine SCHEMBL28290955 | 0.94 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Piperidine SCHEMBL631560 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Piperidine SCHEMBL4867261 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Pyrrolidine SCHEMBL16241174 | 0.92 | ALDH1A1 (0.45) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Piperidine SCHEMBL16927692 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| Morpholine SCHEMBL890524 | 0.89 | L3MBTL1 (0.43) | ALDH1A1SMN1; SMN2LMNAHTTGAA | |
| SCHEMBL3739461 | 0.89 | MAPT (0.44) | ALDH1A1SMN1; SMN2LMNAHTTGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1518908-B1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJIFILM CORP (JP) | 2007-05-30 | — | — | EP | disclosed |
| US-20050070630-A1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJI PHOTO FILM CO., LTD. | 2005-03-31 | — | — | US | disclosed |
| EP-1518908-A1 | Ink composition for electrostatic ink-jet recording and method of ink-jet recording | FUJI PHOTO FILM CO., LTD. (JP) | 2005-03-30 | — | — | EP | disclosed |