Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PAM | P19021 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | TNKS | O95271 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2789093 | 0.78 | CYP2C19 (0.48) | CYP2C19TRPA1NPC1L3MBTL1EGFR | |
| SCHEMBL6281994 | 0.78 | CYP2C19 (0.48) | CYP2C19TRPA1NPC1L3MBTL1EGFR | |
| SCHEMBL2785212 | 0.76 | CYP2C19 (0.47) | CYP2C19TRPA1NPC1L3MBTL1EGFR | |
| SCHEMBL11093287 | 0.74 | CYP2C19 (0.46) | CYP2C19ALDH1A1LMNANPC1L3MBTL1 | |
| SCHEMBL5633111 | 0.73 | CYP2C19 (0.44) | CYP2C19ALDH1A1NPC1L3MBTL1EGFR | |
| SCHEMBL5633115 | 0.73 | CYP2C19 (0.44) | CYP2C19ALDH1A1NPC1L3MBTL1EGFR | |
| SCHEMBL6286942 | 0.72 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL28939716 | 0.72 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL26917 | 0.72 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 | |
| SCHEMBL3259240 | 0.72 | CYP2C19 (0.55) | CYP2C19ALDH1A1LMNATRPA1ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105219527-A | Tetrahydrofuran derivatives is as aromatoising substance | SYMRISE AG | 2016-01-06 | — | — | CN | disclosed |