Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LDHA | P00338 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1219106 | 0.78 | SLC6A4 (0.59) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL11775034 | 0.76 | LTA4H (0.67) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL1219102 | 0.76 | SLC6A4 (0.57) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL8907200 | 0.74 | TSHR (0.51) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL3933929 | 0.73 | ALDH1A1 (0.65) | SLC6A4ALDH1A1TP53CYP3A4ALOX15 | |
| SCHEMBL1070963 | 0.73 | SLC6A4 (0.63) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL16383175 | 0.73 | SLC6A4 (0.69) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL104850 | 0.73 | SLC6A4 (0.69) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL15314133 | 0.72 | SLC6A4 (0.56) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA | |
| SCHEMBL345525 | 0.72 | LDHA (0.53) | SLC6A4CYP1A2CYP2D6CYP2C19LDHA |
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-115867541-A | Aminopyrimidinone derivatives | 豪夫迈·罗氏有限公司 | 2023-03-28 | — | — | CN | disclosed |