Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6662810 | 1.00 | ALOX15 (0.52) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL12714065 | 0.85 | CES2 (0.50) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL29089427 | 0.81 | POLB (0.55) | ALOX15TSHRCES2CES1LMNA | |
| SCHEMBL29089431 | 0.81 | POLB (0.55) | ALOX15TSHRCES2CES1LMNA | |
| SCHEMBL4240914 | 0.80 | TDP1 (0.54) | ALOX15TSHRCES2CES1LMNA | |
| SCHEMBL4240912 | 0.80 | TDP1 (0.54) | ALOX15TSHRCES2CES1LMNA | |
| SCHEMBL5202093 | 0.79 | CES2 (0.48) | CES2CES1ALDH1A1MAPTCA1 | |
| SCHEMBL5202085 | 0.79 | CES2 (0.48) | CES2CES1ALDH1A1MAPTCA1 | |
| SCHEMBL8937433 | 0.78 | ALOX15 (0.56) | ALOX15TSHRCES2CES1SRD5A2 | |
| SCHEMBL4326883 | 0.77 | PARP1 (0.61) | ALOX15KDM4EALDH1A1MAPTPDPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004011414-A1 | E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME | DSM IP ASSETS B.V. (NL) | 2004-02-05 | — | — | WO | disclosed |