Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL27166271 | 0.88 | CTSS (0.43) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL10604721 | 0.88 | CTSS (0.43) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL25185955 | 0.88 | PPARG (0.39) | SLC7A5ADORA1HDAC3HDAC1HDAC2 | |
| SCHEMBL10957808 | 0.88 | ATM (0.42) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL10957821 | 0.88 | ATM (0.42) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL23099848 | 0.88 | ATM (0.42) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL6140276 | 0.87 | HDAC3 (0.34) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL25178617 | 0.87 | PPARA (0.42) | ADORA1PPARGPPARA | |
| SCHEMBL4564346 | 0.86 | ALDH1A1 (0.42) | SLC7A5HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL4564347 | 0.86 | ALDH1A1 (0.42) | SLC7A5HDAC3HDAC1HDAC2NCOR2 |
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-107935875-A | A kind of synthetic method of melphalan | 兆科药业（广州）有限公司 | 2018-04-20 | — | — | CN | disclosed |