Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.43 |
| ▸ | CTSG | P08311 | 3/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 3/20 | 0.43 |
| ▸ | CMA1 | P23946 | 3/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | Q9HBH1 | 1/20 | 0.42 | |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 4/20 | 0.39 |
| ▸ | MMP3 | P08254 | 4/20 | 0.39 |
| ▸ | MMP1 | P03956 | 2/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10830748 | 0.88 | CHRM1 (0.44) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL15665452 | 0.86 | CA2 (0.48) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL4070665 | 0.84 | MMP1 (0.34) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL333214 | 0.82 | MEN1 (0.32) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL2400833 | 0.82 | GSR (0.48) | — | |
| SCHEMBL9995723 | 0.82 | MMP3 (0.39) | PRSS1CTSGCTRB1CMA1MMP2 | |
| SCHEMBL793739 | 0.82 | CPB2 (0.46) | — | |
| SCHEMBL3647951 | 0.82 | MEN1 (0.32) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL28499257 | 0.82 | CA1 (0.44) | CA2MAPK1PRSS1CTSGCTRB1 | |
| SCHEMBL3020262 | 0.81 | MEN1 (0.45) | CA2MAPK1PRSS1CTSGCTRB1 |
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-116406359-A | Bicyclo [1.1.1] pentanes for the treatment and prevention of hepatitis B virus infection | 豪夫迈·罗氏有限公司 | 2023-07-07 | — | — | CN | disclosed |