Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.34 |
| ▸ | MC4R | P32245 | 1/20 | 0.34 |
| ▸ | COMT | P21964 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29973634 | 0.78 | CA1 (0.48) | — | |
| SCHEMBL25520176 | 0.78 | CA1 (0.48) | — | |
| SCHEMBL28710661 | 0.72 | HTR2A (0.46) | CHRNB2CHRNA4 | |
| SCHEMBL6885432 | 0.69 | LMNA (0.45) | CHRNB2CHRNA4 | |
| SCHEMBL18343834 | 0.69 | APLNR (0.40) | CXCR2 | |
| SCHEMBL29381412 | 0.68 | TDP1 (0.50) | CDK2 | |
| SCHEMBL190005 | 0.68 | TDP1 (0.50) | CDK2 | |
| SCHEMBL11149914 | 0.68 | CA2 (0.47) | CDK2 | |
| SCHEMBL18837 | 0.68 | TDP1 (0.50) | CDK2 | |
| Hydrochloric Acid SCHEMBL29812638 | 0.68 | LMNA (0.43) | CHRNB2CHRNA4 |
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-6451819-B2 | PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | HOFFMANN-LA ROCHE INC. | 2002-09-17 | — | — | US | disclosed |