Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28347418 | 0.88 | CASP3 (0.56) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28354774 | 0.86 | NPC1 (0.56) | NPC1RAB9ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL28350767 | 0.86 | USP2 (0.52) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28347711 | 0.86 | USP2 (0.54) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28350863 | 0.83 | CASP3 (0.51) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28350697 | 0.83 | USP2 (0.51) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28350811 | 0.82 | USP2 (0.49) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28351028 | 0.82 | SMN1; SMN2 (0.67) | NPC1RAB9AUSP2LMNAPOLB | |
| SCHEMBL28347340 | 0.82 | KMT2A (0.54) | USP2LMNAPOLBSMN1; SMN2CYP1A2 | |
| SCHEMBL28351089 | 0.81 | KMT2A (0.63) | NPC1RAB9AUSP2LMNAPOLB |
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 |