Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | USP1 | O94782 | 5/20 | 0.33 |
| ▸ | WDR48 | Q8TAF3 | 5/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10709245 | 0.94 | ATR (0.40) | ATRCA12CA1CA2CA9 | |
| SCHEMBL4051106 | 0.84 | GPR55 (0.42) | ATRGPR55MAOBUSP1WDR48 | |
| SCHEMBL2200421 | 0.81 | GPR55 (0.42) | ATRGPR55MAOBUSP1WDR48 | |
| SCHEMBL2200423 | 0.77 | GPR55 (0.42) | GPR55USP1WDR48ALDH1A1ALOX15 | |
| SCHEMBL8754426 | 0.75 | NPC1 (0.31) | MAOBALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL10705944 | 0.73 | GPR55 (0.34) | GPR55TRPA1ALDH1A1TSHRNPC1 | |
| SCHEMBL11338967 | 0.73 | SOAT1 (0.38) | CA12CA1CA2CA9PPARA | |
| SCHEMBL9688886 | 0.73 | CA1 (0.50) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL29613123 | 0.73 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 | |
| SCHEMBL146177 | 0.73 | CA1 (0.58) | CA12CA1CA2CA9TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0087639-B1 | WATER SOLUBLE FLUORS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-12-28 | — | — | EP | claimed |
| EP-0087639-B1 | WATER SOLUBLE FLUORS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-12-28 | — | — | EP | disclosed |