Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | AKR1C3 | P42330 | 8/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 8/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.51 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.43 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL510548 | 1.00 | ALDH1A1 (0.56) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| Toluene SCHEMBL8901851 | 0.94 | ALDH1A1 (0.59) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL1574429 | 0.91 | AKR1C3 (0.58) | ALDH1A1POLBAKR1C3AKR1C2PTGS1 | |
| Toluene SCHEMBL28260671 | 0.88 | ALDH1A1 (0.61) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL22035957 | 0.85 | POLB (0.56) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL4269790 | 0.84 | POLB (0.51) | ALDH1A1POLBMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9872058 | 0.84 | ALDH1A1 (0.53) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL25248841 | 0.83 | POLB (0.54) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL31558611 | 0.83 | ALDH1A1 (0.51) | ALDH1A1POLBAKR1C3AKR1C2MEN1 | |
| SCHEMBL819392 | 0.83 | LMNA (0.61) | ALDH1A1AKR1C3AKR1C2PTGS1AKR1C1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365398-B1 | REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE | BASF AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |