Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.40 |
| ▸ | CA2 | P00918 | 7/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL420137 | 1.00 | CA1 (0.40) | CA1CA2CA9CA12MAPT | |
| SCHEMBL25374417 | 0.86 | CA1 (0.39) | CA1CA2CA9CA12MAPT | |
| SCHEMBL31250251 | 0.83 | CA1 (0.40) | CA1CA2CA9CA12MAPT | |
| SCHEMBL31250316 | 0.83 | CA1 (0.40) | CA1CA2CA9CA12MAPT | |
| SCHEMBL6353477 | 0.82 | CA1 (0.39) | CA1CA2CA9CA12MAPT | |
| SCHEMBL26244796 | 0.82 | CA1 (0.39) | CA1CA2CA9CA12MAPT | |
| SCHEMBL25434524 | 0.82 | CA1 (0.39) | CA1CA2CA9CA12MAPT | |
| SCHEMBL2705851 | 0.80 | ALDH1A1 (0.48) | CA1CA2CA9CA12MAPT | |
| SCHEMBL8914013 | 0.80 | ALDH1A1 (0.48) | CA1CA2CA9CA12MAPT | |
| SCHEMBL2705849 | 0.80 | ALDH1A1 (0.48) | CA1CA2CA9CA12MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |