Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL2675286 | 0.83 | CA2 (0.34) | CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL6771911 | 0.82 | CA2 (0.34) | CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL4677041 | 0.82 | CA2 (0.38) | CA2ALDH1A1NLRP3GABRA1GABRB2 | |
| SCHEMBL9371440 | 0.81 | CA2 (0.33) | CA2ALDH1A1GABRA1GABRB2 | |
| SCHEMBL22430421 | 0.80 | CA2 (0.35) | CA2ALDH1A1NLRP3GABRA1GABRB2 | |
| SCHEMBL3235703 | 0.77 | NR1H4 (0.43) | ALDH1A1 | |
| Bromoethane SCHEMBL27514217 | 0.74 | ALDH1A1 (0.43) | CA2ALDH1A1NLRP3GABRA1GABRB2 | |
| SCHEMBL8138383 | 0.74 | GABRA1 (0.47) | CA2ALDH1A1NLRP3GABRA1GABRB2 | |
| SCHEMBL6879527 | 0.73 | NPSR1 (0.37) | — | |
| SCHEMBL2693816 | 0.73 | ALDH1A1 (0.43) | CA2ALDH1A1GABRA1GABRB2 |
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-5827868-A | Prostaglandin analogs | E. R. SQUIBB & SONS, INC. (US) | 1998-10-27 | — | — | US | disclosed |