Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4523309 | 0.88 | SIGMAR1 (0.56) | CYP2D6ALDH1A1HRH3CYP3A4MEN1 | |
| SCHEMBL9566441 | 0.88 | SIGMAR1 (0.56) | CYP2D6ALDH1A1HRH3CYP3A4MEN1 | |
| SCHEMBL31516363 | 0.86 | CYP2D6 (0.51) | CYP2D6ALDH1A1HRH3TSHRCYP3A4 | |
| SCHEMBL22644521 | 0.85 | CYP2D6 (0.50) | CYP2D6ALDH1A1TSHRCYP3A4MEN1 | |
| SCHEMBL22005419 | 0.84 | ALDH1A1 (0.52) | CYP2D6ALDH1A1HRH3TSHRMEN1 | |
| SCHEMBL6335029 | 0.81 | ALDH1A1 (0.50) | CYP2D6ALDH1A1HRH3TSHRCYP3A4 | |
| SCHEMBL9566495 | 0.81 | KDM4E (0.53) | CYP2D6ALDH1A1TSHRCYP3A4MEN1 | |
| SCHEMBL31516346 | 0.81 | CYP3A4 (0.49) | CYP2D6ALDH1A1TSHRCYP3A4MEN1 | |
| SCHEMBL6356789 | 0.79 | CYP2D6 (0.46) | CYP2D6ALDH1A1HRH3TSHRCYP3A4 | |
| SCHEMBL23599472 | 0.79 | SMN1; SMN2 (0.50) | ALDH1A1TSHRCYP3A4MEN1KMT2A |
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-117659023-A | Pyridine acetamide derivative, pharmaceutical composition containing same and medical application of pyridine acetamide derivative | 苏州阿尔脉生物科技有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-117659022-A | Ureido substituted pyridine compound, pharmaceutical composition containing ureido substituted pyridine compound and medical application of ureido substituted pyridine compound | 苏州阿尔脉生物科技有限公司 | 2024-03-08 | — | — | CN | disclosed |