Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 4/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL34614 | 0.97 | CYP3A4 (0.45) | CYP3A4TDP1TP53ESR1ESR2 | |
| Chloromethane SCHEMBL7930183 | 0.95 | CYP3A4 (0.39) | CYP3A4TDP1TP53ESR1ESR2 | |
| SCHEMBL5278199 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| SCHEMBL3749691 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrogen Sulfide SCHEMBL8154474 | 0.94 | TDP1 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Ammonia Solution, Strong SCHEMBL15124087 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL11570690 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL11570696 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrogen Sulfide SCHEMBL8154468 | 0.94 | TDP1 (0.43) | CYP3A4TDP1TP53ESR1ESR2 | |
| Hydrochloric Acid SCHEMBL28824123 | 0.94 | CYP3A4 (0.43) | CYP3A4TDP1TP53ESR1ESR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108752174-A | A kind of process for catalytic synthesis of acetylenic ketone compounds | 陈丹红 | 2018-11-06 | — | — | CN | claimed |
| CN-113039188-A | Novel pyrido [1,2-a ] pyrimidin-4-one derivatives, formulations thereof and methods of making | 豪夫迈·罗氏有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-108752174-A | A kind of process for catalytic synthesis of acetylenic ketone compounds | 陈丹红 | 2018-11-06 | — | — | CN | disclosed |
| CN-105130769-B | Catalytic synthesis method of alkynone compound | 盐城格瑞茵化工有限公司 | 2018-07-06 | — | — | CN | disclosed |
| CN-107531632-A | Method for preparing bridging biaryl perfume base ligand | 尤尼威蒂恩技术有限责任公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-1980910-B | Benzopyran compound for treating arrhythmia | NISSAN CHEMICAL IND LTD | 2012-06-13 | — | — | CN | disclosed |
| CN-1980910-A | Benzopyran compound for treating arrhythmia | NISSAN CHEMICAL IND LTD (JP) | 2007-06-13 | — | — | CN | disclosed |
| US-5948915-A | Cyclobutenedione derivative, manufacturing method thereof and non-linear optical device containing the same | FUJI XEROX CO., LTD. (JP) | 1999-09-07 | — | — | US | disclosed |
| US-5726317-A | NONLINEAR OPTICAL DEVICE | FUJI XEROX CO., LTD. (JP) | 1998-03-10 | — | — | US | disclosed |