Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | CD44 | P16070 | 1/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PRNP | P04156 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.34 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.34 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7752932 | 0.82 | DAO (0.47) | CA2CA1CA7CA9DAO | |
| SCHEMBL89254 | 0.70 | ALDH1A1 (0.48) | CA2CA1CA7CA9ALDH1A1 | |
| SCHEMBL4161420 | 0.70 | CA1 (0.48) | CA2CA1CA7CA9DAO | |
| SCHEMBL28899579 | 0.68 | MYC (0.58) | CA2CA1CA7CA9CD44 | |
| SCHEMBL4021982 | 0.66 | ACHE (0.57) | CA2CA1CA7CA9CD44 | |
| SCHEMBL1133067 | 0.66 | MYC (0.56) | CA2CA1CA7CA9CD44 | |
| SCHEMBL2277338 | 0.66 | MYC (0.50) | CA2CA1CA7CA9CD44 | |
| SCHEMBL11700610 | 0.65 | PDPK1 (0.42) | CA2CA1CA7CA9DAO | |
| SCHEMBL112742 | 0.65 | GSK3B (0.52) | CA2CA1CA7CA9DAO | |
| SCHEMBL7815737 | 0.65 | CA1 (0.41) | CA2CA1CA7CA9DAO |
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-108348489-A | SHISHIJIMICIN A's and the like is fully synthetic | 威廉马歇莱思大学 | 2018-07-31 | — | — | CN | disclosed |