Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 3/20 | 0.39 |
| ▸ | S100A4 | P26447 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8072999 | 0.75 | AKR1B1 (0.44) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL31448378 | 0.73 | ALDH1A1 (0.53) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL21962048 | 0.73 | ALDH1A1 (0.53) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL11010153 | 0.69 | ALDH1A1 (0.45) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL6741584 | 0.69 | ALDH1A1 (0.47) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL8073582 | 0.68 | ALDH1A1 (0.39) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL26624028 | 0.65 | ALDH1A1 (0.53) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL11113075 | 0.64 | AKR1B1 (0.43) | ALDH1A1PTPRCS100A4BCHEACHE | |
| SCHEMBL6935864 | 0.64 | AKR1B1 (0.38) | ALDH1A1CA9CA1CA2CA7 | |
| SCHEMBL31217559 | 0.64 | ALDH1A1 (0.51) | ALDH1A1PTPRCS100A4BCHEACHE |
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 |