Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | DDO | Q99489 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | RAF1 | P04049 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL51830 | 0.82 | HCAR2 (0.70) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL8792391 | 0.81 | HCAR2 (0.63) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL1117746 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Bromide SCHEMBL21332093 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Fluoride SCHEMBL21331909 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL19987838 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7124062 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7661020 | 0.80 | HCAR2 (0.67) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL14738519 | 0.78 | ALDH1A1 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL6976482 | 0.78 | ALDH1A1 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A |
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-109071468-B | Heterocyclic compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2022-09-02 | — | — | CN | disclosed |