Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.65 |
| ▸ | CA2 | P00918 | 3/20 | 0.65 |
| ▸ | CA7 | P43166 | 2/20 | 0.65 |
| ▸ | CA9 | Q16790 | 2/20 | 0.65 |
| ▸ | CA12 | O43570 | 1/20 | 0.65 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.65 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL28297155 | 0.97 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Fluoride SCHEMBL22472137 | 0.97 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| Fluoride SCHEMBL4338539 | 0.97 | CA1 (0.61) | CA1CA2CA7CA9CA12 | |
| SCHEMBL50514 | 0.97 | — | — | |
| SCHEMBL28010058 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6521833 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| Hydrogen Sulfide SCHEMBL27634199 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL6512391 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL5302598 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL27744604 | 0.94 | CA1 (0.65) | CA1CA2CA7CA9CA12 |
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-116940551-A | Method for producing aryl compound containing pentafluorothio group | ＡＧＣ株式会社 | 2023-10-24 | — | — | CN | disclosed |