Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 6/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.33 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL21061720 | 0.81 | HSP90AA1 (0.71) | HSP90AA1CYP2A6HSP90AB1PTK2NOS3 | |
| Hydrochloric Acid SCHEMBL28134983 | 0.81 | — | — | |
| SCHEMBL97781 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL6903913 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28125542 | 0.78 | — | — | |
| SCHEMBL25333076 | 0.78 | HSP90AA1 (1.00) | HSP90AA1MAP4K4HSP90AB1NOS3NOS1 | |
| SCHEMBL27136 | 0.78 | — | — | |
| Pyridine SCHEMBL27585289 | 0.77 | TSHR (0.47) | CYP2A6EGFRATMMEN1KMT2A | |
| SCHEMBL1227188 | 0.74 | — | — | |
| Water SCHEMBL15769458 | 0.74 | HSP90AA1 (0.92) | HSP90AA1HSP90AB1NOS3NOS1NOS2 |
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-116285777-A | Self-repairing binder based on metal ion-polymer coordination bond and preparation method thereof | 北京理工大学 | 2023-06-23 | — | — | CN | claimed |
| CN-116285777-A | Self-repairing binder based on metal ion-polymer coordination bond and preparation method thereof | 北京理工大学 | 2023-06-23 | — | — | CN | disclosed |