Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SOD1 | P00441 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL765494 | 0.94 | SMN1; SMN2 (0.48) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL18310379 | 0.84 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTL3MBTL1RAB9A | |
| SCHEMBL18310402 | 0.84 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTL3MBTL1RAB9A | |
| SCHEMBL10017501 | 0.83 | NQO1 (0.64) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL10017477 | 0.83 | NQO1 (0.64) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL10591012 | 0.80 | HSD17B10 (0.54) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL16561645 | 0.79 | CYP3A4 (0.53) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL12513541 | 0.79 | CYP2D6 (0.63) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD | |
| SCHEMBL12754475 | 0.78 | DRD2 (0.44) | ALDH1A1MAPTHPGDL3MBTL1NQO1 | |
| SCHEMBL16933880 | 0.78 | S1PR1 (0.46) | SMN1; SMN2ALDH1A1LMNAMAPTHPGD |
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 |