Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10457240 | 0.89 | TSHR (0.33) | CES1CES2 | |
| SCHEMBL15972032 | 0.89 | CES2 (0.32) | CES1CES2ALDH1A1TP53 | |
| SCHEMBL11390790 | 0.80 | CES1 (0.36) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL10457095 | 0.79 | ALDH1A1 (0.32) | CES1CES2ALDH1A1 | |
| SCHEMBL9782912 | 0.79 | CES1 (0.40) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL10457227 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL7263073 | 0.71 | CES1 (0.33) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL7170843 | 0.70 | CES1 (0.41) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL19326556 | 0.67 | ALDH1A1 (0.35) | CES1CES2ALDH1A1 | |
| SCHEMBL10457229 | 0.67 | CES1 (0.38) | CES1CES2ALDH1A1TP53CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4980346-A | N-ALKYL(ENE)-N-(O,O-DISUBSTITUTED-THIOPHOSPHORYL)-N',N' -SUBSTITUTED GLYCINE AMIDE DERIVATIVES | ESZAKMAGYARORSUAGI VEGYIMUVEK (HU) | 1990-12-25 | — | — | US | disclosed |
| US-4870065-A | MITICIDES | ESZAKMAGYARORSZAGI VEGYIMUVEK (HU) | 1989-09-26 | — | — | US | disclosed |