Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 6/20 | 0.32 |
| ▸ | HTR2C | P28335 | 6/20 | 0.32 |
| ▸ | HTR2B | P41595 | 6/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL209828 | 0.72 | ALDH1A1 (0.35) | ALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL9590113 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL9063639 | 0.71 | ALDH1A1 (0.39) | ALDH1A1HTR2AHTR2CHTR2BHRH3 | |
| SCHEMBL48866 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL22284066 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL241806 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL231054 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL22284064 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL7741464 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 | |
| SCHEMBL11359726 | 0.65 | ALDH1A1 (0.89) | ALDH1A1NOS1NOS2 |
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-6372916-B1 | — | — | None | — | — | US | claimed |
| US-6372916-B2 | REACTING HYDRAZINE DERIVATIVES WITH CARBONYL COMPOUNDS IN PRESENCE OF AN ACID, AND REACTING RESULTING DERIVATIVES WITH FORMIC ACID IN THE PRESENCE OF ACID CATALYST AND DILUENT; MICROBIOCIDES; FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-16 | — | — | US | claimed |