Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL516007 | 0.77 | CES1 (0.38) | CES1CES2SPHK2SPHK1ALDH1A1 | |
| SCHEMBL5418160 | 0.77 | CES1 (0.38) | CES1CES2SPHK2SPHK1ALDH1A1 | |
| SCHEMBL346418 | 0.75 | CES1 (0.45) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL28546562 | 0.71 | CES1 (0.53) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL28401204 | 0.70 | CES1 (0.41) | CES1CES2SPHK2SPHK1ALDH1A1 | |
| SCHEMBL27912995 | 0.70 | CES1 (0.41) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL453159 | 0.70 | CES1 (0.41) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL10474453 | 0.70 | CES1 (0.42) | CES1CES2ALDH1A1TP53CA1 | |
| SCHEMBL22679892 | 0.70 | SPHK2 (0.46) | CES1CES2SPHK2SPHK1ALDH1A1 | |
| SCHEMBL28784878 | 0.70 | CES1 (0.43) | CES1CES2ALDH1A1TP53CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4219514-A1 | ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT | CANON KABUSHIKI KAISHA (JP) | 2023-08-02 | — | — | EP | disclosed |