Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.59 |
| ▸ | CTSK | P43235 | 9/20 | 0.59 |
| ▸ | CTSB | P07858 | 3/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | BCL2 | P10415 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 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 | |
|---|---|---|---|---|
| SCHEMBL30866 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL45753 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL29373190 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL30867 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL30865 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL18765 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL13566632 | 1.00 | CTSS (0.59) | CTSSCTSKCTSBCTSLPTPN1 | |
| SCHEMBL15415630 | 0.93 | ATM (0.57) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL2507124 | 0.93 | ATM (0.57) | CTSSCTSKCTSBCTSLATM | |
| SCHEMBL15415629 | 0.93 | ATM (0.57) | CTSSCTSKCTSBCTSLATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112745246-A | Purification method of shakubiqu intermediate | 重庆市碚圣医药科技股份有限公司 | 2021-05-04 | — | — | CN | claimed |
| CN-112745246-A | Purification method of shakubiqu intermediate | 重庆市碚圣医药科技股份有限公司 | 2021-05-04 | — | — | CN | disclosed |