Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | LPAR3 | Q9UBY5 | 4/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.40 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 10/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL931828 | 0.90 | LPAR3 (0.41) | NPSR1LPAR3LPAR1LPAR2EPHX2 | |
| SCHEMBL20590438 | 0.84 | CYP3A4 (0.52) | NPSR1CYP3A4EPHX2MEN1KMT2A | |
| SCHEMBL27600043 | 0.83 | NPSR1 (0.53) | NPSR1EPHX2MEN1KMT2AGAA | |
| SCHEMBL17169179 | 0.77 | NPSR1 (0.61) | NPSR1EPHX2MEN1KMT2AGAA | |
| Tetrabuthylammonium SCHEMBL4750199 | 0.74 | NPSR1 (0.46) | NPSR1LPAR3LPAR1LPAR2EPHX2 | |
| SCHEMBL15389152 | 0.73 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR1LPAR2 | |
| SCHEMBL29177519 | 0.73 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR1LPAR2 | |
| SCHEMBL26559 | 0.73 | CYP3A4 (0.64) | CYP3A4LPAR3LPAR1LPAR2 | |
| SCHEMBL28945078 | 0.71 | NPSR1 (0.55) | NPSR1MEN1KMT2AGAA | |
| Methane SCHEMBL11359992 | 0.71 | CYP3A4 (0.61) | CYP3A4LPAR3LPAR1LPAR2 |
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-108884103-A | Tricyclic compounds as immunomodulators | 正大天晴药业集团股份有限公司 | 2018-11-23 | — | — | CN | disclosed |