Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20550647 | 0.86 | SCN2A (0.54) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL30760731 | 0.86 | SCN2A (0.54) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL14951104 | 0.80 | HCRTR1 (0.43) | ALDH1A1MAPTKDM4EHCRTR1HCRTR2 | |
| SCHEMBL28339831 | 0.79 | HCRTR1 (0.39) | ALDH1A1CYP3A4MAPTNOS3NOS1 | |
| SCHEMBL2063099 | 0.77 | NPC1 (0.44) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL10263764 | 0.76 | HTR3E (0.50) | ALDH1A1KMT2AMEN1SMN1; SMN2HCRTR1 | |
| SCHEMBL18195994 | 0.76 | HCRTR1 (0.38) | ALDH1A1GAAHCRTR1HCRTR2RAB9A | |
| SCHEMBL20551340 | 0.76 | SMN1; SMN2 (0.46) | ALDH1A1CYP3A4KMT2AMEN1MAPT | |
| SCHEMBL20551297 | 0.75 | HCRTR1 (0.40) | NOS3NOS1NOS2SCN2ASMN1; SMN2 | |
| SCHEMBL30760737 | 0.75 | HCRTR1 (0.40) | NOS3NOS1NOS2SCN2ASMN1; SMN2 |
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-110612291-B | Preparation of 2- ([ 1,2,3] triazol-2-yl) -benzoic acid derivatives | 爱杜西亚药品有限公司 | 2024-02-13 | — | — | CN | disclosed |