Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 5/20 | 0.40 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19923359 | 0.84 | CA1 (0.50) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18422360 | 0.84 | CA1 (0.50) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18422361 | 0.83 | CA1 (0.49) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18422362 | 0.83 | CA1 (0.49) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL309577 | 0.81 | CA1 (0.60) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL309576 | 0.81 | CA1 (0.60) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18481403 | 0.78 | CA1 (0.44) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18418159 | 0.77 | CA1 (0.43) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL18418134 | 0.77 | CA1 (0.43) | CA1CA2HDAC4HDAC6LMNA | |
| SCHEMBL24634748 | 0.75 | CA1 (0.70) | CA1CA2IDO1AGXTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017021805-A1 | 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AND 1,1,1-TRIFLUORO-4-HYDROXYBUTAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS | PFIZER INC. (US) | 2017-02-09 | — | — | WO | disclosed |