Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA4 | P22748 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10656052 | 0.74 | ADRA2A (0.31) | CA1CA2CA4 | |
| SCHEMBL1996784 | 0.73 | MEN1 (0.37) | CA1CA2CA4CES2CES1 | |
| SCHEMBL27372519 | 0.70 | CA1 (0.33) | CA1CA2CA4CES2CES1 | |
| SCHEMBL9003976 | 0.67 | CA1 (0.33) | CA1CA2CA4CES2CES1 | |
| SCHEMBL1996066 | 0.65 | MEN1 (0.35) | CA1CA2CA4CES2CES1 | |
| SCHEMBL19769008 | 0.64 | BCL2 (0.36) | CA1CA2CA4 | |
| SCHEMBL456471 | 0.64 | CES2 (0.44) | CA1CA2CA4CES2CES1 | |
| SCHEMBL20993000 | 0.64 | CES2 (0.44) | CA1CA2CA4CES2CES1 | |
| SCHEMBL10585281 | 0.64 | CA1 (0.32) | CA1CA2CA4CES2CES1 | |
| SCHEMBL456472 | 0.64 | CES2 (0.44) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0295839-A2 | Pyrimidine derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-21 | — | — | EP | disclosed |