Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 6/20 | 0.55 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | F3 | P13726 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2234650 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL2234643 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28230744 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28547583 | 0.82 | GAA (0.48) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28546110 | 0.81 | NFE2L2 (0.53) | MAPTNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8843947 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28541054 | 0.79 | ALDH1A1 (0.51) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL28245628 | 0.78 | LOXL2 (0.57) | CYP1A2CYP3A4CYP2C19MAPTALDH1A1 | |
| SCHEMBL13895214 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19MAPTNPC1 | |
| SCHEMBL31310221 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19MAPTNPC1 |
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-108276287-B | Synthesis method of 4-oxo acrylate derivative catalyzed by visible light | 浙江工业大学 | 2021-04-06 | — | — | CN | disclosed |
| CN-108774128-A | A kind of α preparing carbonyl substitution, the synthetic method of beta-unsaturated carboxylic acid ester | 浙江工业大学 | 2018-11-09 | — | — | CN | disclosed |