Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL8153060 | 0.79 | TDP1 (0.32) | TDP1 | |
| SCHEMBL36990 | 0.73 | CYP2C19 (0.59) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| SCHEMBL10834211 | 0.73 | CYP2C19 (0.59) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| SCHEMBL8617909 | 0.72 | — | — | |
| Butane SCHEMBL5614872 | 0.71 | CYP2C19 (0.52) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| Methyl Isobutyl Ketone SCHEMBL3219315 | 0.70 | ALDH1A1 (0.74) | CA2ALDH1A1TDP1CYP2C19CA1 | |
| Methyl Isobutyl Ketone SCHEMBL20475873 | 0.70 | ALDH1A1 (0.74) | CA2ALDH1A1TDP1CYP2C19CA1 | |
| Water SCHEMBL3865217 | 0.70 | CYP2C19 (0.56) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| Fluoride SCHEMBL5203462 | 0.70 | CYP2C19 (0.56) | CA2ALDH1A1TDP1CYP2C19ACHE | |
| Methane SCHEMBL9155165 | 0.70 | CYP2C19 (0.56) | CA2ALDH1A1TDP1CYP2C19ACHE |
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-4094878-A | Chemical synthesis of flavipucine | MERCK & CO., INC. (US) | 1978-06-13 | — | — | US | disclosed |