Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | HCRTR1 | O43613 | 6/20 | 0.42 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.42 |
| ▸ | CCR1 | P32246 | 1/20 | 0.41 |
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 | 1.00 | SCN2A (0.54) | SCN2AALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL30760725 | 0.86 | ALDH1A1 (0.47) | SCN2AALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL10263764 | 0.80 | HTR3E (0.50) | ALDH1A1MEN1KMT2ASMN1; SMN2HCRTR1 | |
| SCHEMBL30760737 | 0.79 | HCRTR1 (0.40) | SCN2ASMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL20551297 | 0.79 | HCRTR1 (0.40) | SCN2ASMN1; SMN2NOS3NOS1NOS2 | |
| SCHEMBL14951104 | 0.76 | HCRTR1 (0.43) | ALDH1A1MAPTKDM4EHCRTR1HCRTR2 | |
| SCHEMBL24656659 | 0.76 | CA1 (0.42) | SCN2AALDH1A1GAAHCRTR1HCRTR2 | |
| SCHEMBL26829602 | 0.76 | CYP2D6 (0.41) | MEN1KMT2ABLMHCRTR1HCRTR2 | |
| SCHEMBL28339831 | 0.75 | HCRTR1 (0.39) | ALDH1A1MAPTCYP3A4NOS3NOS1 | |
| SCHEMBL16767619 | 0.75 | ERN1 (0.51) | ALDH1A1MAPTKDM4EHCRTR1HCRTR2 |
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 |