Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | PDXK | O00764 | 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 | |
|---|---|---|---|---|
| SCHEMBL9102557 | 0.78 | DHFR (0.44) | DHFR | |
| SCHEMBL9607552 | 0.76 | DHFR (0.51) | DHFR | |
| Guanidine SCHEMBL11341298 | 0.75 | DHFR (0.53) | DHFR | |
| SCHEMBL5807751 | 0.75 | DHFR (0.45) | DHFRPDXK | |
| SCHEMBL23094501 | 0.75 | LMNA (0.50) | PDXK | |
| SCHEMBL14076717 | 0.75 | DHFR (0.38) | DHFR | |
| Hydrochloric Acid SCHEMBL28160879 | 0.75 | DHFR (0.50) | DHFR | |
| SCHEMBL28938199 | 0.74 | NUDT1 (0.53) | DHFR | |
| SCHEMBL9286815 | 0.73 | HSP90AA1 (0.47) | DHFR | |
| SCHEMBL27523630 | 0.73 | DHFR (0.48) | DHFR |
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-2012071501-A1 | BENZOXAZEPINES ASN INHIBITORS OF P13K/M TOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2012-05-31 | — | — | WO | disclosed |