Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 9/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12137363 | 0.86 | MAPT (0.60) | ALDH1A1MAPTTSHRRAB9AALOX5 | |
| SCHEMBL28938229 | 0.84 | MAPT (0.56) | ALDH1A1MAPTTSHRRAB9APOLB | |
| SCHEMBL29493430 | 0.73 | MAPT (0.47) | ALDH1A1MAPTTSHRRAB9AKMT2A | |
| SCHEMBL11377231 | 0.73 | NPC1 (0.73) | ALDH1A1MAPTTSHRRAB9APOLB | |
| SCHEMBL30302199 | 0.73 | ALDH1A1 (0.49) | ALDH1A1MAPTTSHRRAB9AKMT2A | |
| SCHEMBL1357702 | 0.71 | NR1H2 (0.53) | ALDH1A1MAPTALOX5KMT2AHPGD | |
| SCHEMBL9611356 | 0.71 | NR1H2 (0.50) | ALDH1A1MAPTALOX5KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL1357699 | 0.70 | NR1H2 (0.49) | ALDH1A1MAPTALOX5KMT2AHPGD | |
| SCHEMBL1763296 | 0.69 | ALDH1A1 (0.51) | ALDH1A1MAPTPOLBKMT2ALMNA | |
| SCHEMBL1156459 | 0.69 | ALDH1A1 (0.54) | ALDH1A1MAPTRAB9APOLBKMT2A |
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-114411178-B | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2023-06-30 | — | — | CN | disclosed |
| CN-114411178-A | Polysubstituted pyrazole compound and electrochemical synthesis method thereof | 南京工业大学 | 2022-04-29 | — | — | CN | disclosed |