Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23039979 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EKMT2ACYP2A6PARP10 | |
| SCHEMBL27878721 | 0.80 | FFAR4 (0.44) | KMT2AFFAR4 | |
| SCHEMBL24658820 | 0.79 | RXRA (0.39) | ALDH1A1FFAR4 | |
| SCHEMBL23182928 | 0.79 | ALDH1A1 (0.44) | ALDH1A1KMT2AFFAR4 | |
| SCHEMBL23055169 | 0.79 | ALDH1A1 (0.41) | ALDH1A1KDM4EKMT2ACYP2A6 | |
| SCHEMBL29130069 | 0.75 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2ACYP2A6PARP10 | |
| SCHEMBL29270941 | 0.74 | FFAR4 (0.39) | ALDH1A1KMT2AFFAR4 | |
| SCHEMBL23040148 | 0.74 | FFAR4 (0.39) | ALDH1A1KMT2AFFAR4 | |
| SCHEMBL29270939 | 0.74 | FFAR4 (0.39) | ALDH1A1KMT2AFFAR4 | |
| SCHEMBL23039953 | 0.73 | FFAR4 (0.38) | ALDH1A1KMT2AFFAR4 |
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-114302884-A | Substituted pyridopyrimidinone based compounds useful as T cell activators | 百时美施贵宝公司 | 2022-04-08 | — | — | CN | disclosed |