Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL585256 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL10577256 | 0.81 | ALDH1A1 (0.56) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL11364505 | 0.80 | ALDH1A1 (0.50) | ALDH1A1LMNACES2CES1MAPT | |
| SCHEMBL31070148 | 0.80 | CES2 (0.50) | ALDH1A1LMNACES2CES1MAPT | |
| SCHEMBL5833747 | 0.79 | TDP1 (0.52) | ALDH1A1LMNACES2CES1MAPT | |
| SCHEMBL6890869 | 0.79 | ALDH1A1 (0.54) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL28679723 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1MAPT | |
| SCHEMBL2233657 | 0.78 | ALDH1A1 (0.59) | ALDH1A1LMNACES2CES1MAPT | |
| SCHEMBL23682946 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL10384383 | 0.77 | ALDH1A1 (0.52) | ALDH1A1LMNACES2CES1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118420560-A | Synthesis method of 2- (trifluoromethyl) -4, 5-disubstituted thiazole compound | 西北师范大学 | 2024-08-02 | — | — | CN | disclosed |
| CN-114835580-B | Method for introducing gamma-deuteration into carbonyl compound | 上海交通大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-114835580-A | Method for introducing gamma-deuteration into carbonyl compound | 上海交通大学 | 2022-08-02 | — | — | CN | disclosed |