Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 3/20 | 0.35 |
| ▸ | S100A4 | P26447 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TDP2 | O95551 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8073582 | 0.91 | ALDH1A1 (0.39) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL8072999 | 0.71 | AKR1B1 (0.44) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL26624028 | 0.70 | ALDH1A1 (0.53) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL7235620 | 0.65 | ESPL1 (0.44) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL10913972 | 0.64 | ALOX5 (0.56) | CA1CA2CA9ACHEPOLB | |
| SCHEMBL10909557 | 0.63 | POLB (0.56) | CA1CA2CA9ACHEPOLB | |
| SCHEMBL3707886 | 0.62 | FTO (0.64) | ALDH1A1CYP3A4TDP1MAPTKMT2A | |
| SCHEMBL30917275 | 0.62 | FTO (0.64) | ALDH1A1CYP3A4TDP1MAPTKMT2A | |
| SCHEMBL8091541 | 0.62 | POLB (0.55) | CA1CA2CA9ACHEPOLB | |
| SCHEMBL21962048 | 0.61 | ALDH1A1 (0.53) | ALDH1A1CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0765331-B1 | OXABOROLES AND SALTS THEREOF, AND THEIR USE AS BIOCIDES | AVECIA LTD (GB) | 2000-08-09 | — | — | EP | disclosed |