Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.56 |
| ▸ | CES1 | P23141 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30327642 | 0.81 | ESR1 (0.46) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL10346045 | 0.81 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL15286424 | 0.79 | ALDH1A1 (0.63) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL29482931 | 0.78 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL22872664 | 0.78 | CES2 (0.52) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL80721 | 0.78 | CES2 (0.65) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL1628732 | 0.77 | KDM4E (0.61) | ALDH1A1ALOX15GAAMEN1KMT2A | |
| SCHEMBL8016813 | 0.77 | MAPT (0.50) | ALDH1A1ALOX15GAAMEN1KMT2A | |
| SCHEMBL5750495 | 0.77 | CES2 (0.54) | CES2CES1ALDH1A1MEN1KMT2A | |
| Urea SCHEMBL27494998 | 0.77 | CES2 (0.55) | CES2CES1ALDH1A1ALOX15GAA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4828407-B2 | — | — | 2011-11-30 | — | — | JP | claimed |
| EP-1594869-A2 | 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF | Targacept, Inc. (US) | 2005-11-16 | — | — | EP | claimed |
| WO-2004076449-A2 | 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF | TARGACEPT, INC. (US) | 2004-09-10 | — | — | WO | claimed |
| CN-112899318-B | (E) Green preparation method of (E) -alpha-cyano-beta-aryl acrylamide compound | 沈阳药科大学 | 2022-10-11 | — | — | CN | disclosed |
| CN-112899318-A | (E) Green preparation method of (E) -alpha-cyano-beta-aryl acrylamide compound | 沈阳药科大学 | 2021-06-04 | — | — | CN | disclosed |
| EP-1594869-A2 | 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF | Targacept, Inc. (US) | 2005-11-16 | — | — | EP | disclosed |
| CN-1217943-C | New use and novel N-azabicyclo-amide derivatives | ASTRAZENECA AB (SE) | 2005-09-07 | — | — | CN | disclosed |
| WO-2004076449-A2 | 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF | TARGACEPT, INC. (US) | 2004-09-10 | — | — | WO | disclosed |
| CN-1423651-A | Novel use and novel N-azabicyclo-amide derivatives | ASTRAZENECA AB (SE) | 2003-06-11 | — | — | CN | disclosed |
| EP-0344577-A2 | Butenoic or propenoic acid derivatives | Eisai Co., Ltd. (JP) | 1989-12-06 | — | — | EP | disclosed |