Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL221679 | 1.00 | TSHR (0.43) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL7686 | 1.00 | TSHR (0.43) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL2904556 | 1.00 | TSHR (0.43) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL223031 | 1.00 | TSHR (0.43) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL1483657 | 1.00 | TSHR (0.43) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL3946464 | 0.98 | TSHR (0.42) | TSHRTP53LMNAF2ALDH1A1 | |
| Water SCHEMBL1818831 | 0.98 | TSHR (0.42) | TSHRTP53LMNAF2ALDH1A1 | |
| Water SCHEMBL789812 | 0.98 | TSHR (0.42) | TSHRTP53LMNAF2ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL11444698 | 0.98 | TSHR (0.42) | TSHRTP53LMNAF2ALDH1A1 | |
| SCHEMBL11542849 | 0.98 | TSHR (0.42) | TSHRTP53LMNAF2ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114591219-A | Preparation method of S-3-aminopiperidine dihydrochloride | 汉瑞药业(荆门)有限公司 | 2022-06-07 | — | — | CN | claimed |
| CN-113784755-A | Salts of isochroman-based compounds, crystalline forms thereof, processes for their preparation, their use in therapy and pharmaceutical compositions containing them | 赛诺维信制药公司 | 2021-12-10 | — | — | CN | claimed |
| CN-118255785-A | Chiral AIEgens of cinchona alkaloid amide skeleton, preparation method and application | 宝鸡文理学院 | 2024-06-28 | — | — | CN | disclosed |
| CN-113784755-A | Salts of isochroman-based compounds, crystalline forms thereof, processes for their preparation, their use in therapy and pharmaceutical compositions containing them | 赛诺维信制药公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-108137590-A | Spiro (3H-indol-3, 2' -pyrrolidin) -2(1H) -one compounds and their derivatives as MDM2-P53 inhibitors | 勃林格殷格翰国际有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-1069314-C | 2-oxoindoline derivatives | TANABE SEIYAKU CO (JP) | 2001-08-08 | — | — | CN | disclosed |
| CN-1136310-A | 2-oxoindoline derivatives | TANABE SEIYAKU CO (JP) | 1996-11-20 | — | — | CN | disclosed |