Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347787 | 0.87 | POLB (0.58) | POLBCYP2C9CYP2C19CYP1A2CASP3 | |
| SCHEMBL28347711 | 0.85 | USP2 (0.54) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28347418 | 0.85 | CASP3 (0.56) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28347339 | 0.83 | NPC1 (0.55) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28347357 | 0.82 | ALDH1A1 (0.50) | USP2POLBLMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL28350767 | 0.81 | USP2 (0.52) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28350863 | 0.81 | CASP3 (0.51) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28360998 | 0.81 | CASP3 (0.46) | POLBCYP2C9CYP2C19CYP1A2CASP3 | |
| SCHEMBL28350811 | 0.79 | USP2 (0.49) | USP2POLBCYP2C9CYP2C19CYP1A2 | |
| SCHEMBL28351028 | 0.79 | SMN1; SMN2 (0.67) | USP2POLBCYP2C9CYP2C19CYP1A2 |
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 |