Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G2A | P14555 | 2/20 | 0.44 |
| ▸ | LTA4H | P09960 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13309593 | 0.96 | LTA4H (0.42) | PLA2G2ALTA4HTSHRNR5A1CYP3A4 | |
| SCHEMBL2016293 | 0.92 | PLA2G2A (0.54) | PLA2G2ATSHRNR5A1CNR1CNR2 | |
| SCHEMBL5086925 | 0.92 | PLA2G2A (0.54) | PLA2G2ATSHRNR5A1CNR1CNR2 | |
| SCHEMBL5086807 | 0.92 | PLA2G2A (0.54) | PLA2G2ATSHRNR5A1CNR1CNR2 | |
| SCHEMBL5095096 | 0.92 | PLA2G2A (0.54) | PLA2G2ATSHRNR5A1CNR1CNR2 | |
| SCHEMBL5088808 | 0.92 | PLA2G2A (0.54) | PLA2G2ATSHRNR5A1CNR1CNR2 | |
| SCHEMBL17407552 | 0.90 | PLA2G2A (0.47) | PLA2G2ALTA4HTSHRNR5A1CNR1 | |
| SCHEMBL2759077 | 0.84 | PLA2G2A (0.55) | PLA2G2ALTA4HTSHRAHRNR5A1 | |
| SCHEMBL13016545 | 0.83 | PLA2G2A (0.49) | PLA2G2ALTA4HAHRNR5A1CYP3A4 | |
| SCHEMBL5251054 | 0.83 | LTA4H (0.48) | PLA2G2ALTA4HTSHRAHRNR5A1 |
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-2015015420-A1 | NOVEL DERIVATIVES OF A 3,4-DIHYDROISOQUINOLINE-3-CARBOXYLIC ACID HAVING ANTI-CANCER PROPERTIES, A METHOD FOR THEIR SYNTHESIS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID DERIVATIVES, AND THEIR USE | NARODOWY INSTYTUT ZDROWIA PUBLICZNEGO PAŃSTWOWY ZAKŁAD HIGIENY (PL) | 2015-02-05 | — | — | WO | disclosed |