Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | FAAH | O00519 | 8/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 5/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10451649 | 0.89 | ALDH1A1 (0.45) | CES2HCAR2ALDH1A1FAAHESR1 | |
| SCHEMBL6323107 | 0.85 | CES2 (0.50) | CES2HCAR2FAAHTSHRCES1 | |
| SCHEMBL457731 | 0.83 | PKM (0.40) | ALDH1A1LMNAMEN1KMT2AHSD17B10 | |
| SCHEMBL6327476 | 0.83 | ALDH1A1 (0.47) | CES2ALDH1A1TSHR | |
| SCHEMBL6328254 | 0.82 | ALDH1A1 (0.46) | CES2ALDH1A1TSHR | |
| SCHEMBL7406644 | 0.82 | PKM (0.39) | ALDH1A1LMNAMEN1KMT2AHSD17B10 | |
| Water SCHEMBL10546251 | 0.82 | MEN1 (0.40) | ALDH1A1LMNAMEN1KMT2AHSD17B10 | |
| SCHEMBL27959199 | 0.78 | HCAR2 (0.35) | CES2HCAR2ALDH1A1LMNAESR1 | |
| Trifluoroacetic Acid SCHEMBL9068008 | 0.77 | CYP4F2 (0.36) | ALDH1A1LMNAMEN1KMT2AHSD17B10 | |
| SCHEMBL3289502 | 0.76 | CES2 (0.41) | CES2HCAR2ALDH1A1FAAHLMNA |
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-107417719-B | Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange | 华东理工大学 | 2022-11-25 | — | — | CN | disclosed |
| US-6893861-B1 | Method for producing trifluoro-3(r)-hydroxybutyric acid derivatives | LONZA AG (CH) | 2005-05-17 | — | — | US | disclosed |