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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3930879 | 0.88 | CYP2D6 (0.46) | ALDH1A1CYP2D6MAPK1KMT2ACYP1A2 | |
| SCHEMBL2703603 | 0.84 | LTA4H (0.51) | LTA4HKMT2AKIF11 | |
| SCHEMBL2703155 | 0.84 | LTA4H (0.51) | LTA4HKMT2AKIF11 | |
| SCHEMBL3930881 | 0.83 | ALDH1A1 (0.45) | ALDH1A1KMT2AKIF11TP53TDP1 | |
| SCHEMBL11203979 | 0.76 | LMNA (0.47) | CYP2D6MAPK1LTA4HCYP1A2CYP2C9 | |
| SCHEMBL10939431 | 0.75 | CYP2C9 (0.43) | ALDH1A1KMT2ACYP1A2CYP2C9TDP1 | |
| SCHEMBL15012266 | 0.75 | LTA4H (0.45) | ALDH1A1LTA4HKMT2AKIF11 | |
| SCHEMBL15012672 | 0.75 | LTA4H (0.45) | ALDH1A1LTA4HKMT2AKIF11 | |
| SCHEMBL15012267 | 0.75 | LTA4H (0.45) | ALDH1A1LTA4HKMT2AKIF11 | |
| SCHEMBL14489046 | 0.72 | IKBKB (0.45) | ALDH1A1CYP2D6LTA4HKIF11TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-8053590-B2 | Method for producing enantiomeric form of 2,3-diaminopropionic acid derivatives | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2011-11-08 | — | — | US | disclosed |
| EP-1778627-B1 | METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2, 3-DIAMINOPROPIONIC ACID DERIVATIVES | SANOFI AVENTIS DEUTSCHLAND (DE) | 2008-02-27 | — | — | EP | disclosed |
| EP-1778627-A1 | METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2, 3-DIAMINOPROPIONIC ACID DERIVATIVES | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006005436-A1 | METHOD FOR PRODUCING ENANTIOMERIC FORM OF 2, 3-DIAMINOPROPIONIC ACID DERIVATIVES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-01-19 | — | — | WO | disclosed |