Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 7/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | CALCA | P06881 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30365543 | 1.00 | L3MBTL1 (0.37) | L3MBTL1RAD52UBE2NNPC1IDH1 | |
| SCHEMBL1769241 | 0.89 | CALCA (0.36) | NPC1IDH1CALCA | |
| SCHEMBL15690225 | 0.80 | OTUD7B (0.39) | NPC1IDH1 | |
| Trifluoroacetic Acid SCHEMBL15690653 | 0.79 | ABHD6 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL30365573 | 0.79 | ABHD6 (0.31) | — | |
| SCHEMBL15690307 | 0.78 | MAPK1 (0.42) | NPC1IDH1 | |
| SCHEMBL15690420 | 0.76 | MAPK1 (0.44) | NPC1IDH1 | |
| SCHEMBL15690568 | 0.76 | CRBN (0.39) | NPC1IDH1 | |
| SCHEMBL15690450 | 0.75 | OTUD7B (0.38) | NPC1IDH1CALCA | |
| Trifluoroacetic Acid SCHEMBL29370029 | 0.73 | OTUD7B (0.43) | NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2785715-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS | Aurigene Discovery Technologies Limited (IN) | 2014-10-08 | — | — | EP | claimed |
| WO-2014072930-A2 | FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-05-15 | — | — | WO | claimed |
| WO-2013080222-A1 | SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2013-06-06 | — | — | WO | claimed |
| WO-2014072930-A2 | FUSED PYRIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-05-15 | — | — | WO | disclosed |