Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL95882 | 0.97 | CA2 (0.52) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL3449678 | 0.94 | CA2 (0.50) | CA2CA4CA5ACFTRALDH1A1 | |
| Methylene Chloride SCHEMBL28537220 | 0.89 | CFTR (0.46) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL28483029 | 0.87 | CA2 (0.44) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL21423575 | 0.83 | HPGD (0.56) | CA2CA4CA5AGAAL3MBTL1 | |
| Pyridine SCHEMBL28428394 | 0.83 | KCNA5 (0.52) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL11612712 | 0.83 | ESR1 (0.65) | CA2CA4CA5ACFTRGAA | |
| SCHEMBL14245147 | 0.81 | ACP3 (0.47) | CA2CA4CA5AALDH1A1GAA | |
| SCHEMBL28368941 | 0.81 | ADORA2A (0.45) | CA2CA4CA5ACFTRALDH1A1 | |
| SCHEMBL31249523 | 0.79 | L3MBTL1 (0.57) | CA2CA4CA5AL3MBTL1TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107286298-A | A kind of sustained-release polycarboxylic water reducer and preparation method thereof | 江苏中铁奥莱特新材料股份有限公司 | 2017-10-24 | — | — | CN | claimed |
| CN-108191849-A | A kind of preparation method of anti-epidermal growth factor receptor resistance mutation inhibitor, related intermediate and application | 上海复星星泰医药科技有限公司 | 2018-06-22 | — | — | CN | disclosed |
| CN-108047636-A | A kind of graphene modified ABS resin and preparation method thereof | 深圳市通产丽星股份有限公司 | 2018-05-18 | — | — | CN | disclosed |