Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | GABRP | O00591 | 1/20 | 0.30 |
| ▸ | GABRD | O14764 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL162091 | 0.96 | HPGD (0.41) | HPGDDYRK1ACYP1A2CYP2C9TSHR | |
| SCHEMBL2427435 | 0.77 | — | — | |
| SCHEMBL2544544 | 0.77 | — | — | |
| Butyl Formate SCHEMBL28320805 | 0.76 | NPC1 (0.33) | ALDH1A1SMN1; SMN2KMT2AMEN1NPC1 | |
| SCHEMBL3582886 | 0.72 | — | — | |
| SCHEMBL10399828 | 0.72 | — | — | |
| SCHEMBL8023464 | 0.72 | — | — | |
| SCHEMBL18529294 | 0.72 | — | — | |
| SCHEMBL10002534 | 0.72 | — | — | |
| SCHEMBL4255025 | 0.72 | — | — |
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-110590670-B | 1,2-bis (3,5-dinitropyrazolyl) ethane compound and synthetic method thereof | 西安近代化学研究所 | 2023-03-17 | — | — | CN | disclosed |