Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.50 |
| ▸ | CHAT | P28329 | 5/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ALPG | P10696 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TYR | P14679 | 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 | |
|---|---|---|---|---|
| SCHEMBL1425978 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11149900 | 0.90 | HDAC8 (0.54) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| Iodide SCHEMBL7049251 | 0.90 | HDAC8 (0.54) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| Benzene SCHEMBL4555522 | 0.88 | CHAT (0.60) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| SCHEMBL300426 | 0.84 | CHAT (0.61) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| SCHEMBL4625849 | 0.84 | CHAT (0.61) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| Sulfuric Acid SCHEMBL7787999 | 0.80 | CHAT (0.52) | HDAC8CHATCYP2A6ALDH1A1KDM4E | |
| SCHEMBL2780056 | 0.80 | HDAC8 (0.41) | HDAC8CHATACHECYP2A6ALDH1A1 | |
| Formic Acid SCHEMBL31165927 | 0.76 | ALDH1A1 (0.41) | ACHECYP2A6ALDH1A1RAB9AHPGD | |
| SCHEMBL1323372 | 0.76 | CHAT (0.47) | HDAC8CHATCYP2A6ALDH1A1KDM4E |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |