Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.46 |
| ▸ | CPT2 | P23786 | 2/20 | 0.44 |
| ▸ | CPT1A | P50416 | 2/20 | 0.44 |
| ▸ | CPT1B | Q92523 | 2/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 SCHEMBL105361 | 0.89 | CA1 (0.55) | CA1SLC22A1NFKB1GPR84CPT2 | |
| Tetrabuthylammonium SCHEMBL5989536 | 0.88 | CA2 (0.58) | CA1SLC22A1CPT2CPT1ACPT1B | |
| Tetrabuthylammonium SCHEMBL21833984 | 0.85 | SLC22A1 (0.44) | CA1SLC22A1CPT2CPT1ACPT1B | |
| Tetrabuthylammonium SCHEMBL5874718 | 0.85 | CA4 (0.59) | CA1SLC22A1NFKB1CPT2CPT1A | |
| Tetrabuthylammonium SCHEMBL331981 | 0.83 | SLC22A1 (0.52) | CA1SLC22A1NFKB1SLC22A2CA2 | |
| Tetrabuthylammonium SCHEMBL30104046 | 0.83 | SLC22A1 (0.52) | CA1SLC22A1NFKB1SLC22A2CA2 | |
| Tetrabuthylammonium SCHEMBL9094612 | 0.83 | CA4 (0.57) | CA1SLC22A1NFKB1CPT2CPT1A | |
| Tetrabuthylammonium SCHEMBL2398990 | 0.82 | SLC22A1 (0.50) | CA1SLC22A1NFKB1SLC22A2CA2 | |
| Tetrabuthylammonium SCHEMBL2398988 | 0.82 | SLC22A1 (0.50) | CA1SLC22A1NFKB1SLC22A2CA2 | |
| Tetrabuthylammonium SCHEMBL1691312 | 0.81 | SLC22A1 (0.55) | CA1SLC22A1SLC22A2CA2 |
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-2024242636-A1 | APPARATUS AND METHOD FOR FORMING SEMI-CLATHRATE HYDRATES | NATIONAL UNIVERSITY OF SINGAPORE (SG) | 2024-11-28 | — | — | WO | disclosed |