Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28052065 | 0.83 | GPR84 (0.35) | TDP1 | |
| SCHEMBL339039 | 0.72 | GAA (0.40) | ALDH1A1TDP1TSHR | |
| SCHEMBL10523283 | 0.72 | — | — | |
| SCHEMBL22129515 | 0.71 | GPR84 (0.41) | ALDH1A1TSHR | |
| SCHEMBL20489 | 0.71 | — | — | |
| SCHEMBL9338773 | 0.71 | — | — | |
| SCHEMBL7856655 | 0.69 | — | — | |
| SCHEMBL2803830 | 0.69 | — | — | |
| SCHEMBL10383930 | 0.68 | — | — | |
| SCHEMBL31135468 | 0.67 | ALDH1A1 (0.37) | ALDH1A1TDP1CES2TSHR |
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-101374844-A | Pyrrolopyridazinone compound | UBE INDUSTRIES (JP) | 2009-02-25 | — | — | CN | disclosed |