Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8951722 | 0.82 | CYP3A4 (0.50) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL9848304 | 0.71 | MAOB (0.42) | MAOAMAOB | |
| SCHEMBL6854538 | 0.69 | TSHR (0.44) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL29520622 | 0.68 | CYP3A4 (0.50) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL26185689 | 0.68 | CYP3A4 (0.50) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL9848305 | 0.67 | KDM1A (0.59) | TSHRALDH1A1CA2TDP1LMNA | |
| SCHEMBL9848303 | 0.67 | ALDH1A1 (0.42) | CYP3A4RECQLTSHRMAPK1ALDH1A1 | |
| SCHEMBL11661863 | 0.66 | CYP3A4 (1.00) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL1934399 | 0.66 | CYP3A4 (1.00) | CYP3A4CASP1RECQLTSHRMAPK1 | |
| SCHEMBL16054 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0438715-A2 | 1,1-Bicyclo-substituted fluorinated cyclopentanes and method for their production | BAYER AG (DE) | 1991-07-31 | — | — | EP | disclosed |