Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28855003 | 1.00 | CA1 (0.47) | CA1CA2CES2CES1FNTA | |
| SCHEMBL23358362 | 0.92 | MEN1 (0.44) | CA1CA2CES2CES1FNTA | |
| SCHEMBL23358359 | 0.92 | MEN1 (0.44) | CA1CA2CES2CES1FNTA | |
| SCHEMBL28854824 | 0.88 | ALDH1A1 (0.51) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL28646612 | 0.87 | NPC1 (0.49) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL17712311 | 0.87 | NPC1 (0.49) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL28713028 | 0.86 | ALDH1A1 (0.48) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL18074916 | 0.86 | ALDH1A1 (0.48) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL17601848 | 0.85 | ANPEP (0.47) | CA1CA2CES2CES1MEN1 | |
| SCHEMBL17601836 | 0.83 | CA1 (0.47) | CA1CA2CES2CES1MEN1 |
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-115175735-A | Antiviral compounds | 吉利德科学公司 | 2022-10-11 | — | — | CN | disclosed |