Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.50 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | MMP14 | P50281 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL27922152 | 0.89 | NQO1 (0.50) | NQO1TSHRTDP1HRH3LMNA | |
| SCHEMBL15567254 | 0.89 | HRH1 (0.59) | NQO1TSHRTDP1HRH3PTPN1 | |
| SCHEMBL15064687 | 0.84 | NQO1 (0.54) | NQO1TSHRTDP1LTA4HPTPN1 | |
| SCHEMBL17339952 | 0.84 | NQO1 (0.54) | NQO1TSHRTDP1HRH3KDM4E | |
| SCHEMBL20442734 | 0.82 | NQO1 (0.52) | NQO1TSHRTDP1LTA4HLMNA | |
| SCHEMBL12188700 | 0.80 | DDB1 (0.50) | TSHRHRH3PTPN1ALDH1A1MEN1 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.80 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.80 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL9282030 | 0.78 | NQO1 (0.47) | NQO1TSHRTDP1HRH3LTA4H | |
| SCHEMBL9282026 | 0.78 | NQO1 (0.47) | NQO1TSHRTDP1HRH3LTA4H |
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-109851544-A | A kind of preparation method of polysubstituted pyrrole compound | 浙江师范大学 | 2019-06-07 | — | — | CN | disclosed |