Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC22A1 | O15245 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | FAAH | O00519 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15345876 | 0.86 | TSHR (0.45) | CA2EPHX2CES2GMNNTP53 | |
| Tetrabuthylammonium SCHEMBL28459202 | 0.86 | SLC22A1 (0.55) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| Tetrabuthylammonium SCHEMBL27850437 | 0.84 | SLC22A1 (0.52) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| SCHEMBL35194 | 0.84 | SLC22A1 (0.52) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| Tetrabuthylammonium SCHEMBL1111569 | 0.83 | BBOX1 (0.44) | SLC22A1CA2EPHX2CES2GMNN | |
| Tetrabuthylammonium SCHEMBL27771268 | 0.82 | SLC22A1 (0.55) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| SCHEMBL15965937 | 0.82 | SLC22A1 (0.55) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| Tetrabuthylammonium SCHEMBL28208963 | 0.80 | SLC22A1 (0.48) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| SCHEMBL34983 | 0.80 | SLC22A1 (0.48) | SLC22A1EPHX2TP53HSD17B10SLC22A2 | |
| SCHEMBL29506651 | 0.80 | SLC22A1 (0.56) | SLC22A1EPHX2TP53HSD17B10SLC22A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2279192-B1 | IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2013-10-30 | — | — | EP | claimed |