Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11312216 | 0.92 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL11318778 | 0.87 | SMN1; SMN2 (0.41) | ALDH1A1 | |
| SCHEMBL11312196 | 0.86 | NR1I2 (0.48) | ALDH1A1 | |
| SCHEMBL11310450 | 0.82 | LMNA (0.41) | ALDH1A1 | |
| SCHEMBL11312249 | 0.80 | ALDH1A1 (0.37) | ALDH1A1 | |
| SCHEMBL11315104 | 0.78 | KDM4E (0.41) | ALDH1A1 | |
| SCHEMBL11318569 | 0.77 | CYP3A4 (0.42) | ALDH1A1 | |
| SCHEMBL2173733 | 0.76 | CES2 (0.41) | CES2CES1CETP | |
| SCHEMBL11316402 | 0.75 | MEN1 (0.45) | — | |
| SCHEMBL7738533 | 0.75 | NR1I2 (0.53) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4257987-A | SYNERGISTIC ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-03-24 | — | — | US | disclosed |