Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28944284 | 0.83 | ALDH1A1 (0.45) | ALDH1A1GLASMN1; SMN2HDAC4HDAC6 | |
| SCHEMBL28944281 | 0.70 | EPHX1 (0.45) | CES2CES1ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL12143938 | 0.70 | SMN1; SMN2 (0.57) | DHODHALDH1A1SMN1; SMN2GAAHTT | |
| SCHEMBL30703055 | 0.70 | ALDH1A1 (0.40) | ALDH1A1HDAC6HPGDCYP1A2CYP3A4 | |
| SCHEMBL30703054 | 0.70 | ALDH1A1 (0.40) | ALDH1A1HDAC6HPGDCYP1A2CYP3A4 | |
| SCHEMBL10861896 | 0.70 | MAPT (0.60) | DHODHALDH1A1SMN1; SMN2GAAKMT2A | |
| SCHEMBL29203783 | 0.69 | MAPT (0.48) | ALDH1A1NPSR1SMN1; SMN2GAAKMT2A | |
| SCHEMBL28944254 | 0.69 | NPSR1 (0.38) | DHODHCES2CES1ACHEALDH1A1 | |
| SCHEMBL28950804 | 0.69 | ADH1B (0.47) | CES1ALDH1A1SMN1; SMN2GAAHDAC4 | |
| SCHEMBL5644945 | 0.69 | GLO1 (0.47) | CES2CES1ACHEALDH1A1NPSR1 |
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-115636762-B | Method for synthesizing beta-trifluoromethyl enamine compound by catalyzing organic dye | 江苏科技大学 | 2023-12-29 | — | — | CN | disclosed |
| CN-115636762-A | Method for catalytically synthesizing beta-trifluoromethyl enamine compound by organic fuel | 江苏科技大学 | 2023-01-24 | — | — | CN | disclosed |