Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 10/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27799204 | 0.85 | SIRT2 (0.45) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL28431711 | 0.83 | SIRT2 (0.43) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL13362059 | 0.82 | PNMT (0.52) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL257552 | 0.78 | ALDH1A1 (0.62) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL6968655 | 0.78 | ALDH1A1 (0.62) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL28239780 | 0.78 | PNMT (0.47) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL27602097 | 0.77 | SNCA (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL13222799 | 0.76 | PNMT (0.40) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL13062867 | 0.76 | PNMT (0.44) | PNMTADRA2AADRA2BADRA2CALDH1A1 | |
| SCHEMBL27587569 | 0.75 | CHRNB4 (0.39) | ALDH1A1SMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108822017-A | New indole ketone compound and its preparation method and medicinal usage | 中国医学科学院药物研究所 | 2018-11-16 | — | — | CN | claimed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-104774193-A | Indolone compounds as well as preparation method and medical application thereof | UNIV CHINA PHARMA | 2015-07-15 | — | — | CN | claimed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | claimed |
| CN-108822017-A | New indole ketone compound and its preparation method and medicinal usage | 中国医学科学院药物研究所 | 2018-11-16 | — | — | CN | disclosed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-104774193-A | Indolone compounds as well as preparation method and medical application thereof | UNIV CHINA PHARMA | 2015-07-15 | — | — | CN | disclosed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | disclosed |