Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL175646 | 0.97 | ACHE (0.41) | ACHECES2CES1HPGDPTGS2 | |
| SCHEMBL29371061 | 0.97 | ACHE (0.41) | ACHECES2CES1HPGDPTGS2 | |
| SCHEMBL67359 | 0.97 | ACHE (0.41) | ACHECES2CES1HPGDPTGS2 | |
| Fluoride SCHEMBL27623395 | 0.94 | ACHE (0.39) | ACHECES2CES1HPGDPTGS2 | |
| Chloroform SCHEMBL1547931 | 0.87 | ACHE (0.35) | ACHECES2CES1HPGDPTGS2 | |
| Methylene Chloride SCHEMBL15412127 | 0.87 | ACHE (0.35) | ACHECES2CES1HPGDPTGS2 | |
| SCHEMBL30064 | 0.84 | ACHE (0.42) | ACHEHPGDHTTHDAC4CYP1A2 | |
| Toluene SCHEMBL2920071 | 0.83 | ACHE (0.50) | ACHECES2CES1HPGDPTGS2 | |
| 1,2-Dichlorobenzene SCHEMBL19179804 | 0.81 | TSHR (0.43) | ACHEPTGS2PTGS1HTTCYP1A2 | |
| Ammonia Solution, Strong SCHEMBL3047305 | 0.80 | CES2 (0.50) | ACHECES2CES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106349083-A | Preparation method of 2,4,6-trifluorobenzylamine | 大连奇凯医药科技有限公司 | 2017-01-25 | — | — | CN | disclosed |
| CN-104995198-A | POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE | GILEAD SCIENCES INC | 2015-10-21 | — | — | CN | disclosed |