Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.45 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 9/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28944259 | 0.81 | EPHX1 (0.50) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL5055068 | 0.78 | CYP2D6 (0.61) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL28569623 | 0.76 | FAAH (0.45) | EPHX1FAAHCES1CES2MEN1 | |
| SCHEMBL12563242 | 0.73 | FAAH (0.40) | FAAHCES1CES2MEN1CYP1A2 | |
| SCHEMBL28944254 | 0.72 | NPSR1 (0.38) | CES1CES2ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL5644945 | 0.71 | GLO1 (0.47) | CES1CES2MEN1CYP1A2KMT2A | |
| SCHEMBL27648818 | 0.71 | GLO1 (0.47) | CES1CES2MEN1CYP1A2KMT2A | |
| SCHEMBL3956082 | 0.71 | ALDH1A1 (0.43) | EPHX1ADH1BADH1CADH1AADH7 | |
| SCHEMBL16110273 | 0.71 | CYP1A2 (0.52) | EPHX1ADH1BADH1CADH1AADH4 | |
| SCHEMBL28944253 | 0.70 | DHODH (0.46) | CES1CES2MEN1CYP1A2KMT2A |
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 |