Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQOR | Q9Y6N5 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 2/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL420880 | 0.81 | KDM4E (0.42) | ALDH1A1MAPTARPGRKDM4E | |
| SCHEMBL29662971 | 0.79 | SQOR (0.55) | SQORALDH1A1MAPTSMN1; SMN2ADORA2A | |
| SCHEMBL14674863 | 0.78 | MET (0.45) | BACE1CASR | |
| SCHEMBL12679896 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2TDP1AR | |
| SCHEMBL421736 | 0.77 | NPC1 (0.50) | SQORALDH1A1MAPTKDM4EMAOB | |
| SCHEMBL3641254 | 0.75 | PTGDR2 (0.60) | MAOAMAOBBACE1CASR | |
| SCHEMBL28793213 | 0.75 | AKR1C3 (0.55) | BACE1CASR | |
| SCHEMBL22025913 | 0.75 | PDE4B (0.47) | ALDH1A1BACE1CASRHSD17B10 | |
| SCHEMBL27910087 | 0.75 | KIF11 (0.45) | ALDH1A1SMN1; SMN2ARKDM4EGAA | |
| SCHEMBL5782038 | 0.73 | ADORA2A (0.55) | SQORALDH1A1MAPTSMN1; SMN2ADORA2A |
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-114560790-B | Biphenyl-2-nitrile compound and preparation method thereof | 赣南师范大学 | 2024-02-20 | — | — | CN | disclosed |
| CN-114560790-A | Biphenyl-2-nitrile compound and preparation method thereof | 赣南师范大学 | 2022-05-31 | — | — | CN | disclosed |