Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 12/20 | 0.49 |
| ▸ | CA1 | P00915 | 10/20 | 0.49 |
| ▸ | CA9 | Q16790 | 9/20 | 0.49 |
| ▸ | CA12 | O43570 | 7/20 | 0.49 |
| ▸ | CA7 | P43166 | 6/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.48 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 4/20 | 0.47 |
| ▸ | CA6 | P23280 | 4/20 | 0.47 |
| ▸ | CA5A | P35218 | 4/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4777109 | 0.98 | GBA1 (0.54) | GBA1CA2CA1CA9CA12 | |
| SCHEMBL30269786 | 0.88 | CA2 (0.56) | CA2CA1CA9CA12CA7 | |
| SCHEMBL3037834 | 0.83 | GBA1 (0.56) | GBA1HTTSMN1; SMN2 | |
| SCHEMBL25145663 | 0.83 | GBA1 (0.56) | GBA1MEN1KMT2AHTTSMN1; SMN2 | |
| SCHEMBL5160716 | 0.83 | CA2 (0.54) | CA2CA1CA9CA12CA7 | |
| Hydrochloric Acid SCHEMBL3034504 | 0.82 | GBA1 (0.54) | GBA1HTTSMN1; SMN2 | |
| SCHEMBL4777240 | 0.82 | GBA1 (0.54) | GBA1HTTSMN1; SMN2 | |
| SCHEMBL4772932 | 0.81 | GBA1 (0.53) | GBA1HTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4773264 | 0.81 | GBA1 (0.53) | GBA1 | |
| Hydrochloric Acid SCHEMBL6393615 | 0.80 | GBA1 (0.53) | GBA1CA2CA1CA9CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110392679-A | It can be used as the heterocyclic compound of dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2019-10-29 | — | — | CN | claimed |
| CN-110392679-A | It can be used as the heterocyclic compound of dual ATX/CA inhibitor | 豪夫迈·罗氏有限公司 | 2019-10-29 | — | — | CN | disclosed |
| CN-103068797-B | Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application | SANOFI SA | 2015-03-11 | — | — | CN | disclosed |
| CN-103068797-A | Hexafluoroisopropyl carbamate derivatives, their preparation and their therapeutic application | SANOFI SA | 2013-04-24 | — | — | CN | disclosed |