Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.54 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.54 |
| ▸ | BPTF | Q12830 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NNMT | P40261 | 1/20 | 0.45 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.44 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.39 |
| ▸ | TUBB | P07437 | 2/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 2/20 | 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 | |
|---|---|---|---|---|
| 3,4,5-Trimethoxybenzamide SCHEMBL29597323 | 0.94 | TSHR (0.62) | TSHRHTTAPOBEC3AAPOBEC3GBPTF | |
| SCHEMBL31492679 | 0.84 | TUBB4A (0.53) | TSHRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL31492675 | 0.84 | TUBB4A (0.53) | TSHRTUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL30625037 | 0.82 | LMNA (0.52) | HTTALDH1A1LMNATUBB4ATUBB | |
| 3,4,5-Trimethoxybenzamide SCHEMBL1326890 | 0.82 | TSHR (0.76) | TSHRHTTAPOBEC3AAPOBEC3GBPTF | |
| SCHEMBL29728529 | 0.81 | TUBB4A (0.39) | HTTALDH1A1LMNATUBB4ATUBB | |
| 3,4,5-Trimethoxybenzamide SCHEMBL4381076 | 0.80 | TSHR (0.73) | TSHRHTTAPOBEC3AAPOBEC3GBPTF | |
| Methyl Syringate SCHEMBL30311469 | 0.79 | KDM4E (0.47) | TSHRALDH1A1SMN1; SMN2LMNAMEN1 | |
| SCHEMBL29728532 | 0.78 | TUBB4A (0.44) | HTTALDH1A1LMNATUBB4ATUBB | |
| SCHEMBL29728503 | 0.76 | TUBB4A (0.45) | HTTALDH1A1LMNATUBB4ATUBB |
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-114507190-A | Deuterated 1, 4-benzodiazepine-2, 5-diketone compound and application thereof | 宁波康柏睿格医药科技有限公司 | 2022-05-17 | — | — | CN | disclosed |