Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL324249 | 0.81 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1MEN1KMT2AGAA | |
| SCHEMBL27730405 | 0.78 | KDM4E (0.31) | ALDH1A1 | |
| SCHEMBL27865424 | 0.78 | TP53 (0.30) | GAA | |
| SCHEMBL4193853 | 0.76 | MEN1 (0.43) | ALDH1A1L3MBTL1MEN1KMT2AGAA | |
| SCHEMBL27814765 | 0.75 | GABRA5 (0.43) | ALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14678035 | 0.74 | CYP1A2 (0.41) | ALDH1A1L3MBTL1MEN1KMT2AGAA | |
| SCHEMBL27927941 | 0.74 | GABRA5 (0.37) | ALDH1A1NPSR1 | |
| SCHEMBL28128475 | 0.74 | GABRA5 (0.47) | — | |
| SCHEMBL27819663 | 0.73 | GABRA5 (0.46) | ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL12500525 | 0.71 | MEN1 (0.40) | ALDH1A1MEN1KMT2AGAALMNA |
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-105753768-B | Production method of single nitrogen heterocyclic compound | 北京恒瑞新霖科技有限公司 | 2020-11-27 | — | — | CN | disclosed |