Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 7/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17817681 | 0.86 | GAA (0.48) | ALDH1A1TRPA1FAAHMGAMGAA | |
| SCHEMBL1178944 | 0.82 | MGAM (0.44) | ALDH1A1TRPA1FAAHMGAMGAA | |
| SCHEMBL16739657 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TRPA1FAAHMGAMGAA | |
| SCHEMBL71304 | 0.81 | — | — | |
| SCHEMBL8804853 | 0.81 | GAA (0.52) | ALDH1A1TRPA1FAAHMGAMGAA | |
| SCHEMBL8349207 | 0.79 | ALDH1A1 (0.54) | ALDH1A1TRPA1FAAHMGAMGAA | |
| SCHEMBL11471708 | 0.79 | FAAH (0.38) | ALDH1A1TRPA1FAAHEGLN1CNR1 | |
| SCHEMBL5762176 | 0.78 | ALDH1A1 (0.42) | ALDH1A1FAAHMGAMGAASI | |
| SCHEMBL1179018 | 0.78 | FAAH (0.44) | ALDH1A1FAAHMGAMGAASI | |
| SCHEMBL97404 | 0.77 | ALDH1A1 (0.65) | ALDH1A1TRPA1FAAHMGAMGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113336703-B | Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives | 西华大学 | 2023-05-12 | — | — | CN | claimed |
| CN-113336703-A | Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives | 西华大学 | 2021-09-03 | — | — | CN | claimed |
| CN-113336703-B | Synthesis of 1,3,4, 5-tetrasubstituted 1H-pyrazole derivatives | 西华大学 | 2023-05-12 | — | — | CN | disclosed |