Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21647650 | 1.00 | EPHX1 (0.42) | EPHX1TP53AAK1CTSLCTSS | |
| SCHEMBL12463556 | 0.91 | EPHX1 (0.45) | EPHX1TP53AAK1CTSLCTSS | |
| SCHEMBL22501529 | 0.91 | EPHX1 (0.45) | EPHX1TP53AAK1CTSLCTSS | |
| SCHEMBL11938111 | 0.86 | ALDH1A1 (0.50) | EPHX1AAK1CTSLCTSSCTSK | |
| SCHEMBL6801509 | 0.86 | ALDH1A1 (0.50) | EPHX1AAK1CTSLCTSSCTSK | |
| SCHEMBL28650981 | 0.85 | AAK1 (0.44) | AAK1CTSLCTSKITGB3ITGA2B | |
| SCHEMBL18215143 | 0.85 | AAK1 (0.44) | AAK1CTSLCTSKITGB3ITGA2B | |
| SCHEMBL18215087 | 0.85 | AAK1 (0.44) | AAK1CTSLCTSKITGB3ITGA2B | |
| SCHEMBL9102139 | 0.85 | AAK1 (0.44) | AAK1CTSLCTSKITGB3ITGA2B | |
| SCHEMBL9102145 | 0.85 | AAK1 (0.44) | AAK1CTSLCTSKITGB3ITGA2B |
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-114729004-A | Heterocyclic compounds | 日商泛美克斯股份有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-112533898-A | Heterocyclic compounds | 日商泛美克斯股份有限公司 | 2021-03-19 | — | — | CN | disclosed |