Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.31 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.31 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL564170 | 0.84 | — | — | |
| SCHEMBL28829611 | 0.82 | TSHR (0.55) | TP53TDP1TSHRPPARD | |
| SCHEMBL28639056 | 0.82 | TSHR (0.55) | TP53TDP1TSHRPPARD | |
| SCHEMBL4388085 | 0.79 | — | — | |
| Acetic Acid SCHEMBL28348119 | 0.78 | TSHR (0.46) | TP53TDP1TSHRPPARDCA12 | |
| SCHEMBL8763864 | 0.75 | — | — | |
| SCHEMBL2298737 | 0.74 | — | — | |
| SCHEMBL17039412 | 0.73 | TSHR (0.46) | TP53TDP1TSHRPPARDCA12 | |
| SCHEMBL28390532 | 0.71 | PPARD (0.60) | TP53TDP1TSHRPPARDCA12 | |
| SCHEMBL13992706 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |