Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 3/20 | 0.41 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.40 |
| ▸ | GPR34 | Q9UPC5 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29010240 | 0.86 | MAPT (0.44) | ALKBH1ALDH1A1 | |
| SCHEMBL29010233 | 0.86 | GABRG2 (0.49) | MGLLHCAR2ALDH1A1LMNAHTT | |
| SCHEMBL28710156 | 0.86 | MGLL (0.45) | MGLLHCAR2EGLN1ALKBH1GPR34 | |
| SCHEMBL28712258 | 0.82 | MEN1 (0.44) | ALDH1A1TDP1 | |
| SCHEMBL28705422 | 0.79 | EGLN1 (0.50) | EGLN1LMNASMN1; SMN2 | |
| SCHEMBL28710153 | 0.79 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL29010236 | 0.77 | PARP1 (0.48) | EGLN1ALKBH1ALDH1A1MAPK1 | |
| SCHEMBL23804708 | 0.77 | SCD (0.49) | EGLN1LMNASMN1; SMN2 | |
| SCHEMBL28694270 | 0.76 | FNTA (0.46) | EGLN1ALKBH1TDP1 | |
| SCHEMBL29010228 | 0.76 | CTRB1 (0.42) | ALDH1A1LMNASMN1; SMN2TDP1MAPK1 |
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-114057646-B | Pyrazole derivative and application thereof in preparation of antitumor drugs | 常州大学 | 2023-05-02 | — | — | CN | disclosed |