Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.33 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | CASP6 | P55212 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 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 | |
|---|---|---|---|---|
| SCHEMBL28748492 | 0.78 | — | — | |
| SCHEMBL3636660 | 0.71 | MAPT (0.33) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL14295796 | 0.71 | HTT (0.50) | MAPTSMN1; SMN2NPC1MAPK1CASP3 | |
| SCHEMBL2453463 | 0.69 | HTT (0.33) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL2456150 | 0.67 | CCNE2 (0.36) | MAPTSMN1; SMN2NPC1RAB9AHTT | |
| Ammonia Solution, Strong SCHEMBL28547173 | 0.67 | HTT (0.32) | MAPTSMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL1558719 | 0.67 | MAPT (0.40) | MAPTSMN1; SMN2NPC1MAPK1CASP3 | |
| SCHEMBL21625525 | 0.67 | MAPT (0.37) | MAPTSMN1; SMN2NPC1MAPK1CASP3 | |
| SCHEMBL30297676 | 0.67 | ALDH1A1 (0.31) | ALDH1A1 | |
| SCHEMBL3634566 | 0.67 | DYRK1A (0.31) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115124471-B | Pyrazole ring explosive with high energy and low melting point characteristics and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2024-02-13 | — | — | CN | disclosed |
| CN-115124471-A | Pyrazole ring explosive with high-energy and low-melting-point characteristics and synthesis method thereof | 中国工程物理研究院化工材料研究所 | 2022-09-30 | — | — | CN | disclosed |