Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | STAT3 | P40763 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9550978 | 0.92 | ALDH1A1 (0.50) | ALDH1A1STAT3CA1CA2MMP1 | |
| SCHEMBL9169477 | 0.84 | ALDH1A1 (0.44) | ALDH1A1STAT3CA1CA2MMP1 | |
| SCHEMBL14219017 | 0.84 | ALDH1A1 (0.47) | ALDH1A1STAT3CA1CA2MMP1 | |
| SCHEMBL1258986 | 0.83 | STAT3 (0.47) | ALDH1A1STAT3CA1CA2MMP1 | |
| Ethylene Glycol SCHEMBL1936214 | 0.83 | CA1 (0.48) | ALDH1A1STAT3CA1CA2MMP1 | |
| SCHEMBL23296190 | 0.83 | ALDH1A1 (0.57) | ALDH1A1STAT3CA1CA2MMP1 | |
| Dimethylamine SCHEMBL28544509 | 0.82 | STAT3 (0.47) | ALDH1A1STAT3CA1CA2MMP1 | |
| SCHEMBL12418418 | 0.80 | ALDH1A1 (0.49) | ALDH1A1STAT3CA1CA2MMP1 | |
| Ethylene SCHEMBL7519766 | 0.80 | STAT3 (0.44) | ALDH1A1STAT3CA1CA2MMP1 | |
| Ethylene SCHEMBL11280661 | 0.80 | STAT3 (0.44) | ALDH1A1STAT3CA1CA2MMP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113372245-B | Synthetic method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司（CN） | 2023-01-13 | — | — | CN | claimed |
| CN-113444055-A | Synthesis method of 1, 4-bis (p-toluenesulfonyl) -7-benzoyl triazacyclononane | 仪征市海帆化工有限公司 | 2021-09-28 | — | — | CN | claimed |
| CN-113372245-A | Synthesis method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司 | 2021-09-10 | — | — | CN | claimed |
| CN-113372245-B | Synthetic method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-113372245-B | Synthetic method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-113372245-B | Synthetic method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-113444055-A | Synthesis method of 1, 4-bis (p-toluenesulfonyl) -7-benzoyl triazacyclononane | 仪征市海帆化工有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-113444055-A | Synthesis method of 1, 4-bis (p-toluenesulfonyl) -7-benzoyl triazacyclononane | 仪征市海帆化工有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-113372245-A | Synthesis method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-113372245-A | Synthesis method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司 | 2021-09-10 | — | — | CN | disclosed |
| CN-113372245-A | Synthesis method of N-benzoyl-O, O-p-toluenesulfonyl-diethanolamine | 仪征市海帆化工有限公司 | 2021-09-10 | — | — | CN | disclosed |