Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KRAS | P01116 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3817714 | 1.00 | MEN1 (0.38) | MEN1GAAKMT2AMAPTKDM4E | |
| SCHEMBL2014227 | 0.88 | AVPR1A (0.33) | MEN1GAAKMT2AMAPTKDM4E | |
| SCHEMBL22278567 | 0.83 | USP30 (0.42) | SIGMAR1MAPK1 | |
| SCHEMBL23093719 | 0.83 | USP30 (0.42) | SIGMAR1MAPK1 | |
| SCHEMBL23102397 | 0.83 | USP30 (0.42) | SIGMAR1MAPK1 | |
| SCHEMBL29170647 | 0.78 | KRAS (0.34) | DPP4KRAS | |
| SCHEMBL3819754 | 0.77 | HTR2C (0.44) | MEN1GAAKMT2AMAPTKDM4E | |
| SCHEMBL23093716 | 0.77 | HTR2C (0.44) | MEN1GAAKMT2AMAPTKDM4E | |
| SCHEMBL29239256 | 0.77 | HTR2C (0.44) | MEN1GAAKMT2AMAPTKDM4E | |
| SCHEMBL22278562 | 0.74 | GAA (0.64) | MEN1GAAKMT2AMAPTKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114096533-B | Tri-ring compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-112839931-B | 1,2,3, 4-tetrahydroquinoxaline derivative, and preparation method and application thereof | 上海和誉生物医药科技有限公司 | 2023-12-01 | — | — | CN | disclosed |
| CN-114096533-A | Tricyclic compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-02-25 | — | — | CN | disclosed |