Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4488619 | 1.00 | LTA4H (0.45) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL22455862 | 0.95 | LTA4H (0.44) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL3779628 | 0.89 | CA1 (0.44) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL29172647 | 0.86 | CA1 (0.48) | CA1SLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL6698682 | 0.84 | CA1 (0.42) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL4285020 | 0.84 | CA1 (0.41) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL3338742 | 0.84 | CETP (0.44) | CA1SLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL21068681 | 0.83 | LTA4H (0.46) | LTA4HEPHX2CA1SLC1A3SLC1A2 | |
| SCHEMBL29108637 | 0.82 | IDO1 (0.41) | KMT2AIDO1AGXTLMNA | |
| SCHEMBL2799652 | 0.82 | CSNK1E (0.50) | TSHRTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116655449-A | (R) - (+) -1,2, 4-butanetriol and efficient synthesis method and application thereof | 青岛海药科技有限公司 | 2023-08-29 | — | — | CN | disclosed |