Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.37 |
| ▸ | PPARA | Q07869 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27272546 | 0.82 | TP53 (0.40) | TSHRLMNAMAPK1HPGDKMT2A | |
| Chlorobenzene SCHEMBL27597546 | 0.79 | KIF11 (0.41) | CYP2C19CYP2C9HSD17B10TSHRCES2 | |
| SCHEMBL61001 | 0.78 | — | — | |
| Chlorobenzene SCHEMBL27999132 | 0.76 | TSHR (0.55) | CYP2C19CYP2C9HSD17B10TSHRCES2 | |
| Hydrochloric Acid SCHEMBL21440339 | 0.75 | — | — | |
| SCHEMBL3266952 | 0.75 | — | — | |
| Chlorobenzene SCHEMBL27947346 | 0.74 | TSHR (0.52) | CYP2C19CYP2C9HSD17B10TSHRCES2 | |
| Methylmalonic Acid SCHEMBL27891866 | 0.74 | TSHR (0.52) | CYP2C19CYP2C9HSD17B10TSHRCES2 | |
| Chlorobenzene SCHEMBL27814511 | 0.74 | TSHR (0.52) | CYP2C19CYP2C9HSD17B10TSHRCES2 | |
| SCHEMBL1738977 | 0.73 | TP53 (0.36) | TSHRLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105130893-B | A kind of application of the first boc methyl tetrahydro isoquinoline derivative of 1 benzyl 6, preparation method and its platelet aggregation-against | 大连理工大学 | 2018-04-10 | — | — | CN | claimed |
| CN-105130893-A | 1-benzyl-6-carbomethoxy methyl tetrahydroisoquinoline derivative, preparation method and application in resisting aggregation of thrombocyte | UNIV DALIAN TECH | 2015-12-09 | — | — | CN | claimed |
| CN-105130893-B | A kind of application of the first boc methyl tetrahydro isoquinoline derivative of 1 benzyl 6, preparation method and its platelet aggregation-against | 大连理工大学 | 2018-04-10 | — | — | CN | disclosed |
| CN-105130893-A | 1-benzyl-6-carbomethoxy methyl tetrahydroisoquinoline derivative, preparation method and application in resisting aggregation of thrombocyte | UNIV DALIAN TECH | 2015-12-09 | — | — | CN | disclosed |