Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | DDO | Q99489 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 3/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30610133 | 1.00 | HCAR2 (0.49) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL12412645 | 0.80 | HCAR2 (0.57) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL30236806 | 0.79 | HCAR2 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL10176193 | 0.79 | HCAR2 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL31032251 | 0.77 | HCAR2 (0.53) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL28283555 | 0.77 | HCAR2 (0.53) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20790756 | 0.75 | HCAR2 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL30525027 | 0.75 | HCAR2 (0.55) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL22778668 | 0.75 | HCAR2 (0.50) | HCAR2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL30486770 | 0.75 | RXRA (0.49) | ALDH1A1POLBCYP2C19RXRA |
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-116897155-A | Benzothiazolyl bicyclo [1.1.1] pentane derivatives for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2023-10-17 | — | — | CN | disclosed |