Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14431954 | 0.76 | L3MBTL1 (0.41) | ALDH1A1L3MBTL1MAPTGAAKDM4E | |
| SCHEMBL4680121 | 0.75 | L3MBTL1 (0.46) | ALDH1A1TRPM8L3MBTL1MAPTGAA | |
| SCHEMBL28146922 | 0.74 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPTGAACYP3A4 | |
| SCHEMBL18044506 | 0.73 | TRPM8 (0.37) | ALDH1A1TRPM8L3MBTL1KDM4ESMN1; SMN2 | |
| SCHEMBL15123996 | 0.72 | L3MBTL1 (0.38) | ALDH1A1TRPM8L3MBTL1MAPTCYP2D6 | |
| SCHEMBL16530180 | 0.72 | MAPT (0.44) | ALDH1A1L3MBTL1MAPTGAAKDM4E | |
| SCHEMBL1600214 | 0.72 | — | — | |
| SCHEMBL2648204 | 0.72 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1KDM4ECYP2D6 | |
| SCHEMBL31547036 | 0.72 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL28582482 | 0.72 | SLC6A2 (0.38) | ALDH1A1TRPM8L3MBTL1MAPTKDM4E |
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-108699032-B | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-113603675-A | Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders | 默克专利有限公司 | 2021-11-05 | — | — | CN | disclosed |