Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.46 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 2/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL5874039 | 0.94 | SMN1; SMN2 (0.50) | NUDT1CSNK1A1TYRO3DYRK1BSMN1; SMN2 | |
| SCHEMBL13061160 | 0.80 | NR4A1 (0.53) | SMN1; SMN2ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL16581269 | 0.79 | DAPK3 (0.51) | CSNK1A1TYRO3DYRK1BSMN1; SMN2ALDH1A1 | |
| SCHEMBL30108279 | 0.78 | PARP1 (0.55) | NUDT1CSNK1A1TYRO3DYRK1BSMN1; SMN2 | |
| SCHEMBL28677807 | 0.78 | PARP1 (0.55) | NUDT1CSNK1A1TYRO3DYRK1BSMN1; SMN2 | |
| SCHEMBL31032166 | 0.78 | PARP1 (0.55) | NUDT1CSNK1A1TYRO3DYRK1BSMN1; SMN2 | |
| SCHEMBL30892682 | 0.77 | BCAT2 (0.55) | NUDT1SMN1; SMN2ALDH1A1MAPTCDC7 | |
| SCHEMBL5849850 | 0.77 | BCAT2 (0.55) | NUDT1SMN1; SMN2ALDH1A1MAPTCDC7 | |
| SCHEMBL31621277 | 0.77 | BCAT2 (0.55) | NUDT1SMN1; SMN2ALDH1A1MAPTCDC7 | |
| SCHEMBL7443066 | 0.77 | HTR1A (0.43) | NUDT1SMN1; SMN2ALDH1A1NPC1MAPT |
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-108640869-B | Transition metal catalyzed C-H coupling high-efficiency preparation of o-amidated aryl heterocyclic derivatives | 四川大学 | 2021-05-04 | — | — | CN | disclosed |