Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.55 |
| ▸ | NAMPT | P43490 | 2/20 | 0.54 |
| ▸ | GRM1 | Q13255 | 9/20 | 0.53 |
| ▸ | GRM5 | P41594 | 8/20 | 0.53 |
| ▸ | MMP2 | P08253 | 2/20 | 0.49 |
| ▸ | ADAM10 | O14672 | 1/20 | 0.49 |
| ▸ | MMP9 | P14780 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | QDPR | P09417 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TNK2 | Q07912 | 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 | |
|---|---|---|---|---|
| SCHEMBL6848748 | 1.00 | PDK4 (0.55) | PDK4NAMPTGRM1GRM5MMP2 | |
| SCHEMBL2954198 | 0.90 | NAMPT (0.54) | PDK4NAMPTGRM1GRM5TDP1 | |
| SCHEMBL21767871 | 0.88 | PDK4 (0.47) | PDK4NAMPTGRM1GRM5MMP2 | |
| SCHEMBL29941117 | 0.88 | PDK4 (0.47) | PDK4NAMPTGRM1GRM5MMP2 | |
| SCHEMBL13993114 | 0.88 | PDK4 (0.53) | PDK4NAMPTGRM1GRM5MMP2 | |
| SCHEMBL7831576 | 0.87 | PDK4 (0.58) | PDK4NAMPTGRM1GRM5HTR6 | |
| SCHEMBL8193684 | 0.87 | NAMPT (0.59) | PDK4NAMPTGRM1GRM5QDPR | |
| SCHEMBL4872355 | 0.86 | PDK4 (0.51) | PDK4NAMPTGRM1GRM5HTR6 | |
| SCHEMBL29914645 | 0.86 | PDK4 (0.57) | PDK4NAMPTGRM1GRM5QDPR | |
| SCHEMBL1364792 | 0.86 | PDK4 (0.57) | PDK4NAMPTGRM1GRM5QDPR |
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-111094300-B | Benzo-heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-09-16 | — | — | CN | disclosed |