Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28848246 | 0.78 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL28338022 | 0.77 | SMN1; SMN2 (0.37) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL12335519 | 0.73 | SMN1; SMN2 (0.44) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL8657291 | 0.69 | HTT (0.57) | ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1 | |
| SCHEMBL18420416 | 0.68 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL28683802 | 0.68 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL26086323 | 0.68 | MEN1 (0.36) | ALDH1A1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL11745671 | 0.67 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL28903990 | 0.66 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A | |
| SCHEMBL28848230 | 0.64 | ATM (0.36) | ALDH1A1SMN1; SMN2L3MBTL1ATMKMT2A |
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 |