Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA7 | P43166 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL77754 | 0.98 | CA1 (0.39) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27330242 | 0.95 | CA1 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27431792 | 0.95 | CA1 (0.38) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27267545 | 0.93 | CA1 (0.37) | CA1CA2CA7CA9CA12 | |
| SCHEMBL28088254 | 0.90 | CA1 (0.34) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27486194 | 0.90 | CA1 (0.34) | CA1CA2CA7CA9CA12 | |
| Magnesium Chloride Anhydrous SCHEMBL29265286 | 0.90 | CA1 (0.34) | CA1CA2CA7CA9CA12 | |
| SCHEMBL29242276 | 0.86 | ALDH1A1 (0.33) | CA1CA2CA7CA9CA12 | |
| SCHEMBL8124425 | 0.84 | LTA4H (0.47) | CA1CA2CA7CA9CA12 | |
| SCHEMBL20875253 | 0.82 | NFE2L2 (0.36) | ALDH1A1 |
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-104520275-B | For preparation method and the intermediate product of integrase inhibitor | 吉利德科学公司 | 2016-11-02 | — | — | CN | disclosed |