Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.35 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL4750204 | 0.88 | NPSR1 (0.44) | NPSR1EPHX2SLC22A1LPAR2GAA | |
| Tetrabuthylammonium SCHEMBL4750200 | 0.85 | NPSR1 (0.46) | NPSR1EPHX2SLC22A1ALDH1A1FAAH | |
| SCHEMBL28259367 | 0.74 | NPSR1 (0.47) | NPSR1EPHX2LPAR3LPAR1LPAR2 | |
| SCHEMBL4922662 | 0.73 | NPSR1 (0.53) | NPSR1GAAMEN1KMT2A | |
| SCHEMBL906786 | 0.72 | NPSR1 (0.52) | NPSR1GAA | |
| Tetrabuthylammonium SCHEMBL25338333 | 0.70 | SLC22A1 (0.55) | SLC22A1LPAR3LPAR1LPAR2ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL769197 | 0.70 | SLC22A1 (0.55) | SLC22A1LPAR3LPAR1LPAR2ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL1577204 | 0.70 | SLC22A1 (0.55) | SLC22A1LPAR3LPAR1LPAR2ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL21855087 | 0.70 | SLC22A1 (0.55) | SLC22A1LPAR3LPAR1LPAR2ALDH1A1 | |
| SCHEMBL20590438 | 0.70 | CYP3A4 (0.52) | NPSR1EPHX2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008139204-A2 | FUNCTIONAL GROUP IMPRINTED POLYMERS | IMPERIAL INNOVATIONS LTD (GB) | 2008-11-20 | — | — | WO | disclosed |