Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL647392 | 0.84 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL21464139 | 0.84 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL59484 | 0.84 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL2154881 | 0.84 | ALDH1A1 (0.50) | ALDH1A1 | |
| SCHEMBL21467312 | 0.84 | ALDH1A1 (0.50) | ALDH1A1 | |
| Bicarbonate SCHEMBL11574946 | 0.82 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL2155746 | 0.81 | — | — | |
| SCHEMBL2154166 | 0.74 | — | — | |
| SCHEMBL819875 | 0.72 | ALDH1A1 (0.36) | ALDH1A1 | |
| SCHEMBL2047747 | 0.67 | — | — |
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-3979401-A | Polyfunctional aliphatic and cycloaliphatic cyclic nitrile sulfites and carbonates | ATLANTIC RICHFIELD COMPANY (US) | 1976-09-07 | — | — | US | claimed |
| US-3979401-A | Polyfunctional aliphatic and cycloaliphatic cyclic nitrile sulfites and carbonates | ATLANTIC RICHFIELD COMPANY (US) | 1976-09-07 | — | — | US | disclosed |