Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 10/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | RARA | P10276 | 2/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19829112 | 1.00 | KIF11 (0.39) | KIF11RARBCYP11B1CYP11B2RARA | |
| SCHEMBL19829227 | 0.96 | KIF11 (0.36) | KIF11RARBCYP11B1CYP11B2RARA | |
| SCHEMBL19829148 | 0.95 | KIF11 (0.35) | KIF11RARBCYP11B1CYP11B2RARA | |
| SCHEMBL18310581 | 0.93 | ALOX5AP (0.36) | KIF11RARBCYP11B1CYP11B2RARA | |
| SCHEMBL19829205 | 0.92 | KIF11 (0.37) | KIF11RARBCYP11B1CYP11B2FFAR4 | |
| SCHEMBL19711845 | 0.88 | KIF11 (0.40) | KIF11RARBCYP11B1CYP11B2RARA | |
| SCHEMBL19829163 | 0.87 | RARB (0.32) | RARBRARARARGNPC1TP53 | |
| SCHEMBL18310368 | 0.87 | RARB (0.32) | RARBRARARARGNPC1TP53 | |
| SCHEMBL19829155 | 0.87 | MAOB (0.35) | RARBRARARARGNPC1TP53 | |
| SCHEMBL14227481 | 0.87 | KIF11 (0.43) | KIF11RARBCYP11B1CYP11B2RARA |
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 |
|---|---|---|---|---|---|---|---|
| US-20180030351-A1 | LIQUID CRYSTAL COMPOUND HAVING POLYFLUORO-2-BUTENOXY GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-02-01 | — | — | US | disclosed |