Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 4/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6858299 | 0.81 | CA1 (0.44) | CA1CA2CA4CES2CES1 | |
| SCHEMBL11269548 | 0.79 | CA1 (0.43) | CA1CA2CA4CES2CES1 | |
| SCHEMBL28207133 | 0.77 | CA2 (0.41) | CA1CA2CA4CES2CES1 | |
| SCHEMBL27110079 | 0.77 | CA1 (0.41) | CA1CA2CA4CES2CES1 | |
| SCHEMBL9711188 | 0.70 | CA1 (0.33) | CA1CA2CA4CES2CES1 | |
| SCHEMBL28231870 | 0.70 | KDM4E (0.50) | CES1MAPT | |
| SCHEMBL6863804 | 0.68 | CA1 (0.41) | CA1CA2CA4CES2CES1 | |
| SCHEMBL20881848 | 0.68 | CA1 (0.32) | CA1CA2CA4CES2CES1 | |
| SCHEMBL1070979 | 0.67 | CA1 (0.39) | CA1CA2CA4CES2CES1 | |
| SCHEMBL358960 | 0.67 | CA1 (0.39) | CA1CA2CA4CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5153227-A | Treatment of diabetes and galactosemia complications | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-10-06 | — | — | US | disclosed |
| EP-0304190-B1 | (ARYLSULPHONYL)NITROMETHANES, PROCESS FOR THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-08 | — | — | EP | disclosed |
| EP-0304190-A1 | (Arylsulphonyl)nitromethanes, process for their preparation and use in pharmaceutical compositions | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-22 | — | — | EP | disclosed |