Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | TK1 | P04183 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550255 | 1.00 | CA1 (0.44) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL9550253 | 1.00 | CA1 (0.44) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL9739112 | 1.00 | CA1 (0.44) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL9007865 | 0.78 | HTT (0.51) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL28552172 | 0.78 | TSHR (0.45) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL9586136 | 0.78 | HTT (0.51) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL9739838 | 0.76 | ALDH1A1 (0.42) | CA1HTTTSHRALOX5MAPT | |
| SCHEMBL9739835 | 0.76 | ALDH1A1 (0.42) | CA1HTTTSHRALOX5MAPT | |
| SCHEMBL1524101 | 0.75 | TSHR (0.67) | CA1HTTTSHRALOX5CA2 | |
| SCHEMBL1524098 | 0.75 | TSHR (0.67) | CA1HTTTSHRALOX5CA2 |
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 |
|---|---|---|---|---|---|---|---|
| JP-3143399-A | — | — | None | — | — | JP | disclosed |
| US-5097075-A | 1,1,1-TRIFLUORO-2-HYDROXY COMPOUND | SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) | 1992-03-17 | — | — | US | disclosed |
| JP-H03143399-A | PRODUCTION OF OPTICALLY ACTIVE 1,1,1-TRIFLUORO-3-PENTEN-2-OL AND DERIVATIVE THEREOF | SHOWA SHELL SEKIYU KK | 1991-06-18 | — | — | JP | disclosed |
| EP-0423992-A1 | 1,1,1-Trifluoro-2-hydroxy compound | Showa Shell Sekiyu Kabushiki Kaisha (JP) | 1991-04-24 | — | — | EP | disclosed |