Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL27553718 | 0.97 | LMNA (0.55) | LMNATSHRALOX12ACHECES2 | |
| SCHEMBL3267692 | 0.92 | CES2 (0.48) | LMNATSHRALOX12ACHECES2 | |
| SCHEMBL6577 | 0.92 | — | — | |
| Hydrogen Peroxide SCHEMBL7249472 | 0.92 | CES2 (0.48) | LMNATSHRALOX12ACHECES2 | |
| SCHEMBL2905282 | 0.92 | — | — | |
| Benzene SCHEMBL28197619 | 0.92 | CES2 (0.48) | LMNATSHRALOX12ACHECES2 | |
| SCHEMBL1331472 | 0.92 | — | — | |
| SCHEMBL472891 | 0.92 | CES2 (0.48) | LMNATSHRALOX12ACHECES2 | |
| Ethylene SCHEMBL3701342 | 0.89 | CES2 (0.46) | LMNATSHRALOX12ACHECES2 | |
| SCHEMBL11701025 | 0.89 | CES2 (0.46) | LMNATSHRALOX12ACHECES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115678596-A | Method for removing alkadiene by selective hydrogenation of light hydrocarbon | 中国石油大学(华东) | 2023-02-03 | — | — | CN | disclosed |
| US-4020228-A | Gel composition, heat sealable substrates, and process for heat sealing | W. R. GRACE & CO. (US) | 1977-04-26 | — | — | US | disclosed |