Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28728513 | 0.85 | MAOB (0.36) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL29467354 | 0.85 | MAOB (0.36) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL20446277 | 0.78 | VCAM1 (0.46) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL29133923 | 0.72 | TSHR (0.46) | MCL1SMN1; SMN2GAAALDH1A1LMNA | |
| SCHEMBL23153756 | 0.71 | KDM4E (0.42) | ALDH1A1MEN1KMT2ACYP3A4ALOX15 | |
| SCHEMBL30475151 | 0.71 | MAOB (0.61) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL1395661 | 0.71 | MAOB (0.61) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL290236 | 0.70 | TSHR (0.48) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL1366457 | 0.69 | NOS3 (0.49) | MAOBMAOANOS3NOS1NOS2 | |
| SCHEMBL28723299 | 0.69 | KDM4E (0.33) | SMN1; SMN2GAAALDH1A1MEN1KMT2A |
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-114315900-B | 3-aryl pyrazolopyrimidine derivative and application thereof | 美迪西普胜医药科技(上海)有限公司 | 2023-09-05 | — | — | CN | disclosed |
| CN-114315900-A | 3-arylpyrazolopyrimidine derivative and application thereof | 美迪西普胜医药科技(上海)有限公司 | 2022-04-12 | — | — | CN | disclosed |