Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.33 |
| ▸ | CA2 | P00918 | 5/20 | 0.33 |
| ▸ | CA4 | P22748 | 5/20 | 0.33 |
| ▸ | CA6 | P23280 | 5/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9527328 | 0.80 | CA1 (0.50) | ADORA3ADORA2ACA1CA2CA4 | |
| SCHEMBL9528165 | 0.79 | CA1 (0.57) | CA1CA2CA4CA6AURKA | |
| SCHEMBL9530863 | 0.73 | KDM4E (0.49) | CA1CA2CA4CA6ALOX5 | |
| SCHEMBL9526738 | 0.70 | DAO (0.41) | CA1CA2CA4CA6 | |
| SCHEMBL9810709 | 0.63 | CA1 (0.39) | CA1CA2ALOX5 | |
| SCHEMBL8946555 | 0.60 | CA1 (0.60) | CA1CA2CA4CA6AURKA | |
| SCHEMBL1224695 | 0.59 | CA1 (0.48) | CA1CA2ALOX5 | |
| SCHEMBL1176388 | 0.59 | CA1 (0.48) | CA1CA2ALOX5 | |
| SCHEMBL29429119 | 0.59 | CA1 (0.48) | CA1CA2ALOX5 | |
| SCHEMBL1652005 | 0.58 | CYP2C9 (0.37) | CA1CA2 |
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-5185360-A | Antioxidants, free radical scavengers | UNIVERSITY OF BATH (GB) | 1993-02-09 | — | — | US | claimed |
| US-5185360-A | Antioxidants, free radical scavengers | UNIVERSITY OF BATH (GB) | 1993-02-09 | — | — | US | disclosed |