Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.32 |
| ▸ | ABAT | P80404 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.30 |
| ▸ | PGK2 | P07205 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL9681747 | 0.76 | ALDH1A1 (0.45) | ALDH1A1PGK1PGK2 | |
| SCHEMBL4453780 | 0.74 | ESR1 (0.43) | ALDH1A1ALDH5A1ABATCYP2C19 | |
| SCHEMBL12727277 | 0.74 | ALDH1A1 (0.43) | ALDH1A1PGK1PGK2 | |
| SCHEMBL1596423 | 0.72 | ALDH1A1 (0.42) | ALDH1A1PGK1PGK2 | |
| SCHEMBL68148 | 0.72 | ALDH1A1 (0.59) | ALDH1A1 | |
| SCHEMBL20587670 | 0.72 | ALDH1A1 (0.59) | ALDH1A1 | |
| SCHEMBL6532889 | 0.72 | KMT2A (0.38) | ALDH1A1 | |
| SCHEMBL6441255 | 0.72 | ALDH1A1 (0.45) | ALDH1A1 | |
| 1,1-Dichloroethene SCHEMBL17353950 | 0.71 | TSHR (0.42) | ALDH1A1CYP2C19 | |
| Acrylic Acid SCHEMBL9052379 | 0.71 | CYP2C19 (0.39) | ALDH1A1CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1242395-B1 | BENZOIC ACID ESTERS OF OXAZOLIDINONES HAVING A HYDROXYACETYLPIPERAZINE SUBSTITUENT | UPJOHN CO (US) | 2005-02-02 | — | — | EP | disclosed |
| CN-1390211-A | Benzoic ester comprising ethoxyl acyl piperazine substituted oxazolidone compound | UPJOHN CO (US) | 2003-01-08 | — | — | CN | disclosed |
| US-6281210-B1 | Benzoic acid esters of oxazolidinones having a hydroxyacetylpiperazine substituent | PHARMACIA & UPJOHN COMPANY | 2001-08-28 | — | — | US | disclosed |