Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28290297 | 1.00 | CTSS (0.53) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL1198965 | 1.00 | CTSS (0.53) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL345955 | 0.90 | CTSS (0.52) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL16970654 | 0.89 | MEN1 (0.53) | CTSSKMT2AMEN1SMN1; SMN2ITGB3 | |
| SCHEMBL28525877 | 0.89 | MEN1 (0.53) | CTSSKMT2AMEN1SMN1; SMN2ITGB3 | |
| SCHEMBL16974952 | 0.89 | KMT2A (0.60) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL345121 | 0.89 | CTSS (0.51) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL31152359 | 0.87 | CTSS (0.50) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL31031483 | 0.87 | CTSS (0.50) | CTSSKMT2AMEN1HTTSMN1; SMN2 | |
| SCHEMBL31152389 | 0.87 | CTSS (0.50) | CTSSKMT2AMEN1HTTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106163509-B | β -substituted β -amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2019-05-03 | — | — | CN | disclosed |