Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.76 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.57 |
| ▸ | HTT | P42858 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL10940033 | 0.88 | ALDH1A1 (0.67) | ALDH1A1MAPK14HTTCYP2C9CYP1A2 | |
| SCHEMBL29191103 | 0.84 | ALDH1A1 (0.70) | ALDH1A1MAPK14HTTCYP2C9CYP1A2 | |
| SCHEMBL29190977 | 0.81 | ALDH1A1 (0.76) | ALDH1A1HTTKMT2ALMNASMN1; SMN2 | |
| SCHEMBL17607058 | 0.81 | MAPK14 (0.67) | ALDH1A1MAPK14HTTKMT2ASMN1; SMN2 | |
| SCHEMBL29190967 | 0.81 | MAPK14 (0.55) | ALDH1A1MAPK14HTTKMT2ASMN1; SMN2 | |
| SCHEMBL2419793 | 0.80 | ALDH1A1 (0.68) | ALDH1A1HTTCYP2C9CYP1A2CYP2C19 | |
| SCHEMBL10756348 | 0.79 | CDC25B (0.55) | ALDH1A1MAPK14HTTKMT2AMEN1 | |
| SCHEMBL10937651 | 0.78 | ALDH1A1 (0.62) | ALDH1A1MAPK14HTTCYP2C9CYP1A2 | |
| SCHEMBL17607056 | 0.78 | POLB (0.60) | ALDH1A1MAPK14HTTSMN1; SMN2POLB | |
| SCHEMBL31114395 | 0.78 | SMN1; SMN2 (0.72) | ALDH1A1MAPK14HTTKMT2ASMN1; SMN2 |
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-117886734-A | Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof | 中国药科大学 | 2024-04-16 | — | — | CN | disclosed |