Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.76 |
| ▸ | LMNA | P02545 | 2/20 | 0.76 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.76 |
| ▸ | RAB9A | P51151 | 1/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | ACHE | P22303 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.58 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.55 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.53 |
| ▸ | TUBB | P07437 | 2/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11115156 | 0.93 | HTT (0.67) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL6441737 | 0.91 | ALDH1A1 (0.73) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL6131922 | 0.91 | ACHE (0.71) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL3468365 | 0.90 | HTT (0.63) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL3468486 | 0.90 | LMNA (0.63) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL31164291 | 0.90 | HTT (0.63) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL4817872 | 0.90 | HTT (0.63) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL5520271 | 0.88 | RAB9A (0.61) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL8050011 | 0.88 | HTT (0.65) | HTTLMNAMAPK1RAB9ACYP1A2 | |
| SCHEMBL313217 | 0.86 | LMNA (0.73) | HTTLMNAMAPK1RAB9ACYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108069976-A | A kind of nitrogenous macrocyclic compounds, its preparation method, pharmaceutical composition and application | 山东罗欣药业集团股份有限公司 | 2018-05-25 | — | — | CN | disclosed |