Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 5/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL28508012 | 1.00 | CYP1A2 (0.49) | CYP1A2AOC3GAAGABBR2GABBR1 | |
| SCHEMBL28513886 | 1.00 | CYP1A2 (0.49) | CYP1A2AOC3GAAGABBR2GABBR1 | |
| SCHEMBL18548754 | 0.83 | SMN1; SMN2 (0.56) | CYP1A2AOC3LMNACYP2D6CHRNB2 | |
| SCHEMBL25216149 | 0.81 | ADRB3 (0.43) | CYP1A2CYP2D6MEN1KMT2AL3MBTL1 | |
| SCHEMBL28507778 | 0.80 | AOC3 (0.49) | CYP1A2AOC3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28505084 | 0.80 | AOC3 (0.49) | CYP1A2AOC3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28505083 | 0.80 | AOC3 (0.49) | CYP1A2AOC3CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL21462735 | 0.78 | TDP1 (0.53) | CYP1A2GAALMNACYP2D6CYP2C19 | |
| SCHEMBL21462737 | 0.78 | TDP1 (0.53) | CYP1A2GAALMNACYP2D6CYP2C19 | |
| SCHEMBL27953236 | 0.76 | MAPT (0.43) | AOC3GAAMEN1KMT2ACHRNB2 |
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 |