Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 9/20 | 0.55 |
| ▸ | CA2 | P00918 | 9/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | F2 | P00734 | 4/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 4/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 7/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 2/20 | 0.31 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonamide SCHEMBL6602452 | 0.74 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL130 | 0.74 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL29042995 | 0.74 | CA2 (1.00) | CA1CA2CA7CA13F2 | |
| SCHEMBL12417902 | 0.74 | CA1 (0.45) | CA1CA2CA7CA13ALDH1A1 | |
| SCHEMBL12211903 | 0.73 | CA1 (0.39) | CA1CA2CA7CA13ALDH1A1 | |
| Acetic Acid Methyl Ester SCHEMBL27634931 | 0.72 | ALDH1A1 (0.71) | CA2ALDH1A1CA12CA14CA5A | |
| Acetic Acid Methyl Ester SCHEMBL9459298 | 0.72 | ALDH1A1 (0.71) | CA2ALDH1A1CA12CA14CA5A | |
| Trifluoromethanesulfonamide SCHEMBL25437159 | 0.71 | CA2 (0.92) | CA1CA2CA7CA13F2 | |
| Trifluoromethanesulfonamide SCHEMBL23573920 | 0.71 | — | — | |
| Trifluoromethanesulfonamide SCHEMBL25437849 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4789745-A | Certain 3-[3-(3-pyridinyloxy)propoxy or propylthio]-acetic acid derivatives which are useful as synthetase inhibitors | THE UPJOHN COMPANY (US) | 1988-12-06 | — | — | US | disclosed |
| EP-0099685-A2 | (3-Pyridinyl)heteroalkanols and alkanoic acids and esters | THE UPJOHN COMPANY (US) | 1984-02-01 | — | — | EP | disclosed |