Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28039833 | 0.95 | TDP1 (0.42) | HRH3TDP1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL27725494 | 0.89 | TDP1 (0.45) | HRH3TDP1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL27773484 | 0.82 | TDP1 (0.48) | HRH3TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27722002 | 0.80 | TDP1 (0.39) | HRH3TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL27906317 | 0.79 | TDP1 (0.45) | HRH3TDP1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL28258224 | 0.79 | TDP1 (0.45) | HRH3TDP1ALDH1A1 | |
| Tert-Butyl Formate SCHEMBL28087539 | 0.78 | MEN1 (0.41) | HRH3TDP1ALDH1A1MAOB | |
| Tert-Butyl Formate SCHEMBL27742731 | 0.77 | TDP1 (0.62) | TDP1ALDH1A1 | |
| SCHEMBL486410 | 0.77 | HRH3 (0.70) | HRH3ALDH1A1 | |
| SCHEMBL26488817 | 0.77 | HRH3 (0.70) | HRH3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109843334-A | The targeted delivery of nicotinamide adenine dinucleotide remedial pathway inhibitor | 西雅图基因公司 | 2019-06-04 | — | — | CN | disclosed |