Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12636057 | 0.87 | ELANE (0.40) | CES2CES1CYP4F2CYP4A11KMT2A | |
| SCHEMBL31621880 | 0.84 | CYP4F2 (0.51) | CES2CES1CYP4F2CYP4A11KMT2A | |
| SCHEMBL156400 | 0.84 | CYP4F2 (0.51) | CES2CES1CYP4F2CYP4A11KMT2A | |
| SCHEMBL12636052 | 0.81 | CES2 (0.41) | CES2CES1CYP4F2CYP4A11RAB9A | |
| SCHEMBL15759403 | 0.80 | CES2 (0.34) | CES2CES1CYP4F2CYP4A11KMT2A | |
| SCHEMBL12636041 | 0.79 | CES2 (0.39) | CES2CES1CYP4F2CYP4A11BCHE | |
| SCHEMBL12636027 | 0.79 | CES2 (0.36) | CES2CES1CYP4F2CYP4A11RAB9A | |
| SCHEMBL15385625 | 0.78 | ELANE (0.44) | CYP4F2CYP4A11KMT2ARAB9AHTT | |
| SCHEMBL3827377 | 0.78 | CES2 (0.45) | CES2CES1CYP4F2CYP4A11KMT2A | |
| SCHEMBL29007736 | 0.77 | CYP4F2 (0.38) | CES2CES1CYP4F2CYP4A11KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100412047-C | Method for preparing phenylpyruvic acid and aryl substituted derivative thereof | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2008-08-20 | — | — | CN | disclosed |
| CN-1789227-A | Novel method for rapidly preparing phenylpyruvic acid and aryl substituted derivative thereof | NANJING UNIVERSITY OF TECHNOLOGY (CN) | 2006-06-21 | — | — | CN | disclosed |