Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | BDKRB2 | P30411 | 3/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL10920689 | 0.85 | BRD4 (0.36) | CHRNB2CHRNA4PIK3CD | |
| SCHEMBL317354 | 0.82 | — | — | |
| Butanone SCHEMBL28280707 | 0.70 | ALDH1A1 (0.48) | ALDH1A1TDP1CHRNB2CHRNA4BDKRB2 | |
| SCHEMBL4900394 | 0.68 | PIK3CD (0.40) | PIK3CD | |
| Methylpyrrolidone SCHEMBL10878513 | 0.68 | BRD4 (0.68) | ALDH1A1TDP1PIK3CD | |
| SCHEMBL12748060 | 0.66 | — | — | |
| Butanone SCHEMBL2900345 | 0.66 | — | — | |
| Butanone SCHEMBL28629198 | 0.66 | — | — | |
| SCHEMBL6365551 | 0.66 | — | — | |
| SCHEMBL6366119 | 0.66 | — | — |
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-109415309-A | Sulfonate compound and its utilization | 日产化学株式会社 | 2019-03-01 | — | — | CN | disclosed |