Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.41 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29726624 | 0.84 | CES1 (0.50) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL9632450 | 0.84 | CES1 (0.50) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL20379017 | 0.82 | CES1 (0.49) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL15993577 | 0.81 | CES2 (0.47) | CES2CES1NAAAKCNH2GAA | |
| Ammonia Solution, Strong SCHEMBL27806818 | 0.81 | CES2 (0.47) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL1532739 | 0.81 | CES1 (0.47) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL11416528 | 0.81 | CES1 (0.47) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL11782068 | 0.79 | CES1 (0.51) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL30716568 | 0.79 | CES2 (0.51) | CES2CES1NAAAKCNH2GAA | |
| SCHEMBL11664524 | 0.79 | CES1 (0.51) | CES2CES1NAAAKCNH2GAA |
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-109195599-A | antifungal composition | 株式会社种探索研究所 | 2019-01-11 | — | — | CN | disclosed |