Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL96576 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL3893413 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL13090620 | 1.00 | TSHR (0.43) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL5430573 | 0.97 | TSHR (0.42) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL28492568 | 0.86 | CYP3A4 (0.46) | ALDH1A1CYP2D6 | |
| Acrylamide SCHEMBL6244745 | 0.85 | ALDH1A1 (0.42) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL6244742 | 0.82 | KDM4E (0.37) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL9814678 | 0.82 | PGK1 (0.41) | TSHRALDH1A1LMNAMAPK1CYP2C19 | |
| SCHEMBL14149737 | 0.81 | ALDH1A1 (0.42) | TSHRALDH1A1LMNACYP2C19KDM4E | |
| SCHEMBL8621423 | 0.81 | CALM1 (0.46) | LMNA |
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-107641076-A | A kind of synthetic method of luxuriant and rich with fragrance quinones | 浙江工业大学 | 2018-01-30 | — | — | CN | claimed |
| CN-107641076-A | A kind of synthetic method of luxuriant and rich with fragrance quinones | 浙江工业大学 | 2018-01-30 | — | — | CN | disclosed |