Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.63 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.63 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.63 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.63 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347830 | 0.88 | CASP3 (0.70) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28350863 | 0.86 | CASP3 (0.51) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28350738 | 0.82 | POLB (0.64) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28347661 | 0.81 | CYP1A2 (0.72) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28350729 | 0.81 | KMT2A (0.77) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28347350 | 0.81 | TDP1 (0.65) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28347337 | 0.80 | L3MBTL1 (0.68) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28347420 | 0.80 | CYP1A2 (0.59) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL30609724 | 0.78 | L3MBTL1 (0.64) | CASP3SENP8SENP7SENP6TDP1 | |
| SCHEMBL28351267 | 0.78 | CASP3 (0.60) | CASP3SENP8SENP7SENP6TDP1 |
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-110698394-B | 2- (2-chloronicotinamido) ethyl benzoate derivative and preparation method and application thereof | 浙江工业大学 | 2021-06-29 | — | — | CN | disclosed |
| CN-110698394-A | 2- (2-chloronicotinamido) ethyl benzoate derivative and preparation method and application thereof | 浙江工业大学 | 2020-01-17 | — | — | CN | disclosed |