Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | PPARA | Q07869 | 4/20 | 0.32 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29924274 | 1.00 | KCNH2 (0.40) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL29924260 | 0.88 | ADRA2C (0.36) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL29149893 | 0.88 | ADRA2C (0.36) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL24186460 | 0.87 | KCNH2 (0.40) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL30217384 | 0.85 | KCNH2 (0.44) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL23980788 | 0.85 | KCNH2 (0.44) | KCNH2SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL29924223 | 0.85 | KMT2A (0.38) | MAPTLMNAPPARGMEN1KMT2A | |
| SCHEMBL29150120 | 0.85 | KMT2A (0.38) | MAPTLMNAPPARGMEN1KMT2A | |
| SCHEMBL26516076 | 0.81 | KCNH2 (0.36) | KCNH2SMN1; SMN2MRGPRX4HRH1MAPT | |
| SCHEMBL30983652 | 0.79 | — | — |
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-117986264-A | Benzo nitrogen-containing polycyclic derivative regulator and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-117177970-A | Polycyclic derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-05 | — | — | CN | disclosed |