Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 17/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29115151 | 0.86 | SMN1; SMN2 (0.60) | HRH3 | |
| SCHEMBL28527303 | 0.86 | TSHR (0.56) | ALDH1A1 | |
| SCHEMBL3867109 | 0.80 | HRH3 (0.54) | HRH3 | |
| SCHEMBL13773050 | 0.80 | PARP10 (0.58) | HRH3ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL1936238 | 0.79 | HRH3 (0.60) | HRH3ALDH1A1 | |
| SCHEMBL6223200 | 0.77 | HRH3 (0.61) | HRH3ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL2907506 | 0.77 | HDAC1 (0.65) | HRH3ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL28258974 | 0.77 | HRH3 (0.57) | HRH3ALDH1A1 | |
| SCHEMBL6057466 | 0.76 | HRH3 (0.71) | HRH3ALDH1A1 | |
| SCHEMBL2912150 | 0.76 | HRH3 (0.64) | HRH3ALDH1A1HDAC1HDAC8HDAC6 |
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-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |