Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | ELANE | P08246 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.35 |
| ▸ | GGT1 | P19440 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL218280 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Ethyl Acetate SCHEMBL811125 | 0.85 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Ethyl Acetate SCHEMBL9063181 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Ethyl Acetate SCHEMBL9419114 | 0.83 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Acetic Acid Methyl Ester SCHEMBL19208995 | 0.79 | TDP1 (0.55) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| SCHEMBL23581251 | 0.79 | CYP3A4 (0.50) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Acetic Acid SCHEMBL9549791 | 0.79 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Acetic Acid SCHEMBL6135660 | 0.79 | CYP3A4 (0.67) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Acetic Acid SCHEMBL158139 | 0.79 | CYP3A4 (0.67) | ALDH1A1TDP1CYP3A4ESR1ESR2 | |
| Acetic Acid SCHEMBL7629010 | 0.79 | CYP3A4 (0.67) | ALDH1A1TDP1CYP3A4ESR1ESR2 |
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-7629431-B2 | Polycarbonate prepolymer for solid phase polymerization and process for producing polycarbonate | IDEMITSU KOSAN CO., LTD. (JP) | 2009-12-08 | — | — | US | disclosed |
| US-20080064847-A1 | Oxidative carbonylation; molecular weight control | IDEMISU KOSAN CO., LTD. (JP) | 2008-03-13 | — | — | US | disclosed |