Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | RORB | Q92753 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | RORC | P51449 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 4/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 4/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 4/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25753206 | 1.00 | RECQL (0.50) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL28662886 | 0.87 | NNMT (0.42) | RECQLRORBKMT2ARORCLMNA | |
| SCHEMBL29399311 | 0.79 | CES2 (0.71) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL50416 | 0.79 | CES2 (0.71) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL3444846 | 0.77 | CES2 (0.68) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL25753143 | 0.76 | ALDH1A1 (0.48) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL16333365 | 0.75 | NNMT (0.42) | KMT2AALDH1A1 | |
| SCHEMBL29577063 | 0.75 | NNMT (0.42) | KMT2AALDH1A1 | |
| SCHEMBL4357599 | 0.75 | RECQL (0.41) | RECQLRORBKMT2ACES2CES1 | |
| SCHEMBL5080596 | 0.74 | RECQL (0.71) | RECQLRORBKMT2ACES2CES1 |
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-113620949-B | Synthesis method of antitumor compound and intermediate thereof | 药捷安康(南京)科技股份有限公司 | 2025-05-09 | — | — | CN | disclosed |