Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 7/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.38 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28507778 | 1.00 | AOC3 (0.49) | AOC3CYP1A2UTS2RCHRNB2CHRNB4 | |
| SCHEMBL28505084 | 1.00 | AOC3 (0.49) | AOC3CYP1A2UTS2RCHRNB2CHRNB4 | |
| SCHEMBL28508012 | 0.80 | CYP1A2 (0.49) | AOC3CYP1A2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28513886 | 0.80 | CYP1A2 (0.49) | AOC3CYP1A2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28508013 | 0.80 | CYP1A2 (0.49) | AOC3CYP1A2CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3685753 | 0.79 | AOC3 (0.54) | AOC3UTS2R | |
| SCHEMBL3685751 | 0.79 | AOC3 (0.54) | AOC3UTS2R | |
| SCHEMBL639174 | 0.76 | AOC3 (0.49) | AOC3CYP1A2UTS2R | |
| SCHEMBL21199033 | 0.75 | AOC3 (0.59) | AOC3UTS2RCHRNB2CHRNA4 | |
| SCHEMBL21198899 | 0.75 | AOC3 (0.59) | AOC3UTS2RCHRNB2CHRNA4 |
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-112262139-B | Aminopyrrolotriazines as kinase inhibitors | 百时美施贵宝公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-112262139-A | Aminopyrrolotriazines as kinase inhibitors | 百时美施贵宝公司 | 2021-01-22 | — | — | CN | disclosed |