Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | RARG | P13631 | 2/20 | 0.38 |
| ▸ | TYR | P14679 | 2/20 | 0.38 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1289504 | 0.87 | ESR1 (0.51) | ESR1ESR2HSD17B14TDP1RARB | |
| SCHEMBL1289643 | 0.84 | HSD17B14 (0.49) | ESR1ESR2HSD17B14TDP1RARB | |
| Cavosonstat SCHEMBL29371087 | 0.84 | ESR1 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| SCHEMBL1289544 | 0.84 | ESR2 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| Cavosonstat SCHEMBL1289569 | 0.84 | ESR1 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| SCHEMBL1289514 | 0.84 | ESR1 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| Cavosonstat SCHEMBL30578536 | 0.84 | ESR1 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| Cavosonstat SCHEMBL29433211 | 0.84 | ESR1 (0.48) | ESR1ESR2HSD17B14TDP1RARB | |
| SCHEMBL1289507 | 0.81 | ESR2 (0.44) | ESR1ESR2HSD17B14TDP1RARB | |
| SCHEMBL1289562 | 0.81 | ESR1 (0.44) | ESR1ESR2HSD17B14TDP1RARB |
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-2012048181-A1 | NOVEL SUBSTITUTED QUINOLINE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | N30 PHARMACEUTICALS, LLC (US) | 2012-04-12 | — | — | WO | disclosed |