Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | FUCA1 | P04066 | 4/20 | 0.34 |
| ▸ | GBA1 | P04062 | 3/20 | 0.34 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | GLB1 | P16278 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL28209903 | 1.00 | TDP1 (0.45) | TDP1FUCA1GBA1MAN1B1GLA | |
| Tert-Butyl Formate SCHEMBL27412203 | 0.87 | TDP1 (0.54) | TDP1FUCA1GBA1MAN1B1GLA | |
| Tert-Butyl Formate SCHEMBL27412204 | 0.87 | TDP1 (0.54) | TDP1FUCA1GBA1MAN1B1GLA | |
| Tert-Butyl Formate SCHEMBL27848587 | 0.85 | TDP1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27699264 | 0.85 | TDP1 (0.41) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28742532 | 0.83 | TDP1 (0.38) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27677594 | 0.81 | TDP1 (0.56) | TDP1FUCA1GBA1MAN1B1 | |
| Tert-Butyl Formate SCHEMBL27713287 | 0.81 | TDP1 (0.56) | TDP1 | |
| Tert-Butyl Formate SCHEMBL28286492 | 0.80 | TDP1 (0.42) | TDP1FUCA1GBA1MAN1B1GAA | |
| Tert-Butyl Formate SCHEMBL27642542 | 0.77 | TDP1 (0.42) | TDP1 |
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-105025899-A | Having a2AHeterobicyclically substituted- [1 ] with antagonist properties | MERCK SHARP & DOHME | 2015-11-04 | — | — | CN | disclosed |