Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9927430 | 0.77 | CA1 (0.46) | CA1CA9CYP1A2 | |
| SCHEMBL9607558 | 0.73 | CA1 (0.50) | CA1CA9CYP1A2 | |
| SCHEMBL2664154 | 0.73 | CA1 (0.50) | CA1CA9CYP1A2 | |
| SCHEMBL9607559 | 0.73 | CA1 (0.50) | CA1CA9CYP1A2 | |
| SCHEMBL9559189 | 0.73 | CA1 (0.44) | CA1CA9CYP1A2 | |
| SCHEMBL25327380 | 0.68 | CA1 (0.41) | CA1CA9CYP1A2 | |
| SCHEMBL3792494 | 0.67 | CA1 (0.39) | CA1CA9CYP1A2 | |
| SCHEMBL22972533 | 0.67 | CA1 (0.43) | CA1CA9CYP1A2 | |
| SCHEMBL27502798 | 0.67 | CA1 (0.48) | CA1CA9CYP1A2 | |
| SCHEMBL16449196 | 0.67 | CA1 (0.36) | CA1CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1242426-B1 | GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS | MERCK & CO INC (US) | 2007-10-31 | — | — | EP | disclosed |
| US-6642237-B1 | Inhibitors of HIV protease and inhibitors of HIV replication, used in the prevention or treatment of infection by HIV and treatment for AIDS | MERCK & CO., INC. | 2003-11-04 | — | — | US | disclosed |