Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL23033389 | 0.83 | BACE1 (0.43) | SMN1; SMN2KDM4EBACE1BACE2ALDH1A1 | |
| SCHEMBL22000031 | 0.81 | POLB (0.64) | SMN1; SMN2KDM4ENPC1ESR1TP53 | |
| SCHEMBL6117647 | 0.75 | SMN1; SMN2 (0.59) | SMN1; SMN2KDM4ENPC1ESR1TP53 | |
| SCHEMBL29593678 | 0.75 | TDP1 (0.69) | SMN1; SMN2KDM4ENPC1ESR1TP53 | |
| SCHEMBL399453 | 0.75 | TDP1 (0.69) | SMN1; SMN2KDM4ENPC1ESR1TP53 | |
| Hydrochloric Acid SCHEMBL10875998 | 0.74 | TDP1 (0.68) | SMN1; SMN2KDM4ENPC1ESR1TP53 | |
| SCHEMBL14094243 | 0.73 | ACHE (0.59) | SMN1; SMN2BACE1ALDH1A1POLBHTT | |
| SCHEMBL15886291 | 0.72 | BACE1 (0.53) | SMN1; SMN2NPC1RAB9ABACE1BACE2 | |
| SCHEMBL9019384 | 0.72 | KMT2A (0.53) | SMN1; SMN2KDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL11877299 | 0.72 | SMN1; SMN2 (0.56) | SMN1; SMN2KDM4ENPC1ESR1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032209-A1 | ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF | 四川海思科制药有限公司 | 2021-02-25 | — | — | WO | disclosed |