Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29291334 | 0.91 | LMNA (0.49) | ALDH1A1CYP3A4LMNASMN1; SMN2HDAC1 | |
| SCHEMBL29291328 | 0.89 | LMNA (0.52) | NPC1ALDH1A1SLC6A9LMNASMN1; SMN2 | |
| SCHEMBL29291333 | 0.87 | LMNA (0.50) | NPC1ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29291323 | 0.85 | CES2 (0.49) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29291338 | 0.85 | ALDH1A1 (0.50) | NPC1ALDH1A1GAAPOLBSLC6A9 | |
| SCHEMBL29291340 | 0.83 | CES2 (0.46) | NPC1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL29291325 | 0.80 | SMN1; SMN2 (0.46) | NPC1ALDH1A1POLBLMNASMN1; SMN2 | |
| SCHEMBL29291324 | 0.76 | ALDH1A1 (0.55) | NPC1ALDH1A1POLBCYP3A4CYP2C19 | |
| SCHEMBL29291319 | 0.75 | NPC1 (0.47) | NPC1ALDH1A1GAALMNASMN1; SMN2 | |
| SCHEMBL28137499 | 0.73 | POLB (0.70) | NPC1ALDH1A1GAAPOLBSLC6A9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761842-B | Synthesis method of alpha-F-beta-NHAc-carbonyl compound | 浙江工业大学 | 2021-11-30 | — | — | CN | disclosed |