Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.37 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29135784 | 1.00 | CTSS (0.43) | CTSSCTSKALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL30786853 | 0.90 | CTSS (0.40) | CTSSCTSKALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL18301503 | 0.83 | CTSK (0.47) | CTSSCTSKALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL29135696 | 0.83 | AAK1 (0.45) | CTSSCTSKAAK1 | |
| SCHEMBL12635114 | 0.80 | CTSS (0.39) | CTSSCTSKALDH1A1MEN1KMT2A | |
| SCHEMBL14047158 | 0.80 | AAK1 (0.39) | CTSSCTSKALDH1A1MEN1KMT2A | |
| SCHEMBL12635101 | 0.80 | CTSS (0.39) | CTSSCTSKALDH1A1MEN1KMT2A | |
| SCHEMBL12635106 | 0.80 | CTSS (0.39) | CTSSCTSKALDH1A1MEN1KMT2A | |
| SCHEMBL12635110 | 0.80 | CTSS (0.39) | CTSSCTSKALDH1A1MEN1KMT2A | |
| SCHEMBL14092249 | 0.80 | AAK1 (0.39) | CTSSCTSKALDH1A1MEN1KMT2A |
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-117229295-A | Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof | 中国医药研究开发中心有限公司 | 2023-12-15 | — | — | CN | disclosed |