Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPAR3 | Q9UBY5 | 8/20 | 0.52 |
| ▸ | LPAR2 | Q9HBW0 | 6/20 | 0.52 |
| ▸ | LPAR1 | Q92633 | 4/20 | 0.52 |
| ▸ | TPI1 | P60174 | 2/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.40 |
| ▸ | PGK2 | P07205 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 1/20 | 0.39 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | PGD | P52209 | 1/20 | 0.37 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | CSNK2A3 | Q8NEV1 | 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 | |
|---|---|---|---|---|
| SCHEMBL811703 | 0.96 | LPAR3 (0.55) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL20193278 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL20580710 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL16533839 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL8904061 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL3939048 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| Ethylene Glycol SCHEMBL2858765 | 0.87 | LPAR3 (0.48) | LPAR3LPAR2LPAR1TPI1FDPS | |
| SCHEMBL2871620 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL9419900 | 0.84 | LPAR3 (0.46) | LPAR3LPAR2LPAR1TPI1 | |
| SCHEMBL1514200 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050196851-A1 | Crystal structure of the BTK kinase domain | PARKER HUGHES INSTITUTE (US) | 2005-09-08 | — | — | US | disclosed |
| WO-2003016338-A9 | CRYSTAL STRUCTURE OF THE BTK KINASE DOMAIN | PARKER HUGHES INST (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003016338-A1 | CRYSTAL STRUCTURE OF THE BTK KINASE DOMAIN | PARKER HUGHES INSTITUTE (US) | 2003-02-27 | — | — | WO | disclosed |