Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | DGKA | P23743 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10009347 | 0.88 | TSHR (0.41) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10009351 | 0.88 | TSHR (0.41) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10011057 | 0.88 | CES1 (0.44) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10011053 | 0.88 | CES1 (0.44) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL2399574 | 0.86 | ALDH1A1 (0.48) | TSHRDGKACES1CES2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL7743649 | 0.85 | ALDH1A1 (0.47) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10010829 | 0.84 | DGKA (0.50) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10010824 | 0.84 | DGKA (0.50) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL21798764 | 0.83 | TSHR (0.46) | TSHRDGKACES1CES2ALDH1A1 | |
| SCHEMBL10011754 | 0.82 | DGKA (0.53) | TSHRDGKACES1CES2ALDH1A1 |
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-116514807-A | Naphthyridones derivative and preparation method thereof | 上海翰森生物医药科技有限公司 | 2023-08-01 | — | — | CN | disclosed |