Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.45 |
| ▸ | NOS3 | P29474 | 2/20 | 0.42 |
| ▸ | NOS1 | P29475 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.38 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | PRKCI | P41743 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL120361 | 0.77 | — | — | |
| SCHEMBL29460918 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29954643 | 0.75 | TRIM24 (0.55) | AMY1ANOS3NOS1NOS2NAPRT | |
| SCHEMBL3223810 | 0.72 | — | — | |
| SCHEMBL8271736 | 0.72 | — | — | |
| SCHEMBL28763145 | 0.72 | CYP2A6 (0.40) | AMY1ANOS3NOS1NOS2PRKCI | |
| SCHEMBL25024149 | 0.71 | AMY1A (0.47) | AMY1ANOS3NOS1NOS2NAPRT | |
| SCHEMBL31492285 | 0.71 | NOS3 (0.45) | NOS3NOS1NOS2NAPRTMKNK1 | |
| SCHEMBL27849254 | 0.70 | CYP3A4 (0.41) | KDM4EALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10072090 | 0.69 | NOS3 (0.48) | AMY1ANOS3NOS1NOS2NAPRT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114085221-B | Nitrogen-containing heterocyclic compound, marked nitrogen-containing heterocyclic compound, and preparation methods and applications thereof | 暨南大学 | 2022-12-09 | — | — | CN | claimed |
| CN-114085221-B | Nitrogen-containing heterocyclic compound, marked nitrogen-containing heterocyclic compound, and preparation methods and applications thereof | 暨南大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-114085221-A | Nitrogen-containing heterocyclic compound, marked nitrogen-containing heterocyclic compound, and preparation methods and applications thereof | 暨南大学 | 2022-02-25 | — | — | CN | disclosed |