Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenylacetylene SCHEMBL27820603 | 0.95 | LTA4H (0.42) | LTA4HTDP1TSHRL3MBTL1ALDH1A1 | |
| Phenylacetylene SCHEMBL27820593 | 0.94 | TSHR (0.43) | LTA4HTSHRALDH1A1CYP3A4MAPK1 | |
| Heptyl Formate SCHEMBL27820611 | 0.94 | TSHR (0.43) | LTA4HTSHRALDH1A1CYP3A4MAPK1 | |
| Hexyl Formate SCHEMBL27820594 | 0.94 | TSHR (0.43) | LTA4HTSHRALDH1A1CYP3A4MAPK1 | |
| Phenylacetylene SCHEMBL27820588 | 0.94 | TSHR (0.43) | LTA4HTSHRALDH1A1CYP3A4MAPK1 | |
| Phenylacetylene SCHEMBL27820592 | 0.90 | MEN1 (0.36) | LTA4HTDP1TSHRL3MBTL1ALDH1A1 | |
| Phenylacetylene SCHEMBL27463858 | 0.83 | RELA (0.34) | LTA4HALDH1A1GAAHPGDTP53 | |
| Butyl Formate SCHEMBL27315053 | 0.80 | LTA4H (0.39) | LTA4HTDP1TSHRL3MBTL1ALDH1A1 | |
| Butyl Formate SCHEMBL28287342 | 0.80 | LTA4H (0.43) | LTA4HTDP1TSHRL3MBTL1ALDH1A1 | |
| Phenylacetylene SCHEMBL27630895 | 0.78 | LTA4H (0.42) | LTA4HCYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104962102-B | A kind of dye-sensitized solar cells, the organic dyestuff and preparation method thereof containing dihydro-thiophene and * and carbazole and diazosulfide structure | 中国科学院长春应用化学研究所 | 2018-07-27 | — | — | CN | disclosed |
| CN-105153735-B | A kind of dye photoactivation agent and its preparation method and application | 中国科学院长春应用化学研究所 | 2017-08-25 | — | — | CN | disclosed |
| CN-104962102-A | Dye-sensitized solar cell, organic dye with dihydrothiophene benzene-carbazole and diazosulfide structure and preparation method of organic dye | CHANGCHUN APPLIED CHEMISTRY | 2015-10-07 | — | — | CN | disclosed |
| CN-101941949-B | Triazole heterocyclic compound and synthesis method thereof | UNIV DALIAN TECH | 2012-11-14 | — | — | CN | disclosed |
| CN-101941949-A | Triazole heterocyclic compound and synthesis method thereof | UNIV DALIAN TECH | 2011-01-12 | — | — | CN | disclosed |