Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5517105 | 0.83 | AAK1 (0.45) | CYP2D6SLC22A12XDH | |
| SCHEMBL13859508 | 0.81 | HTR1A (0.52) | CYP2D6MAOA | |
| SCHEMBL13485290 | 0.79 | AR (0.49) | CYP2D6ARFFAR1FFAR4SLC22A12 | |
| SCHEMBL21595961 | 0.77 | KDM4E (0.44) | ARFFAR1FFAR4SLC22A12MAOA | |
| SCHEMBL28867665 | 0.77 | XDH (0.51) | ARFFAR1FFAR4SLC22A12MAOA | |
| SCHEMBL29940793 | 0.77 | XDH (0.51) | ARFFAR1FFAR4SLC22A12MAOA | |
| SCHEMBL3290437 | 0.77 | AR (0.50) | ARFFAR1FFAR4SLC22A12MAOA | |
| SCHEMBL23862066 | 0.75 | MAOB (0.41) | FFAR1FFAR4MAOAMAOBS1PR1 | |
| SCHEMBL17977469 | 0.75 | FFAR1 (0.48) | FFAR1FFAR4SLC22A12XDH | |
| SCHEMBL22470640 | 0.75 | HTR2A (0.51) | ARXDH |
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-113278022-B | Pyrazolopyrimidine compound, pharmaceutical composition and application thereof | 南京纳丁菲医药科技有限公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-113278022-A | Pyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 南京纳丁菲医药科技有限公司 | 2021-08-20 | — | — | CN | disclosed |