Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL171825 | 0.84 | TSHR (0.61) | TSHRGAAGLAPOLBCASP1 | |
| SCHEMBL29766284 | 0.84 | TSHR (0.61) | TSHRGAAGLAPOLBCASP1 | |
| Tert-Butyl Formate SCHEMBL28830223 | 0.79 | NR1H2 (0.44) | TSHRGAAGLAPOLBTDP1 | |
| SCHEMBL12024599 | 0.75 | ALDH1A1 (0.50) | TSHRGAAGLAPOLBTDP1 | |
| SCHEMBL20971955 | 0.72 | TSHR (0.55) | TSHRGAAGLAPOLBCASP1 | |
| Tert-Butyl Formate SCHEMBL27788912 | 0.72 | TDP1 (0.52) | TDP1ALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL28381323 | 0.71 | GAA (0.50) | TSHRGAAGLAPOLBCASP1 | |
| SCHEMBL14070070 | 0.70 | ALDH1A1 (0.54) | TSHRGAAGLAPOLBTDP1 | |
| SCHEMBL30750882 | 0.69 | TSHR (0.56) | TSHRGAAGLAPOLBCASP1 | |
| SCHEMBL2059016 | 0.69 | TSHR (0.56) | TSHRGAAGLAPOLBCASP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103539784-B | Heterocycle benzamide compound, Pharmaceutical composition and application thereof | 中国科学院广州生物医药与健康研究院 | 2016-08-17 | — | — | CN | disclosed |