Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | ATR | Q13535 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20865565 | 0.92 | ATR (0.40) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL31124393 | 0.86 | ATR (0.37) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL6124199 | 0.86 | MEN1 (0.43) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL31124321 | 0.85 | ATR (0.41) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL6124198 | 0.84 | ATR (0.36) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL31124503 | 0.84 | CA1 (0.39) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL28475336 | 0.83 | PRMT1 (0.40) | CTSSATRMEN1KMT2ACA1 | |
| SCHEMBL29140715 | 0.81 | ATR (0.36) | CTSSATRCA1CA2LMNA | |
| SCHEMBL4395627 | 0.81 | ALDH1A1 (0.44) | ATRGAATSHRNPSR1LMNA | |
| SCHEMBL3126895 | 0.80 | ATR (0.43) | ATRMEN1KMT2ACA1GAA |
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-118957609-A | Deuteration method of fluorinated aromatic ring | 无锡绿能电合科技有限公司 | 2024-11-15 | — | — | CN | disclosed |