Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | TYR | P14679 | 4/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10233896 | 0.78 | ALDH1A1 (0.43) | ALDH1A1CA1CA9POLBHTT | |
| SCHEMBL9615822 | 0.78 | ALDH1A1 (0.56) | ALDH1A1THRBTSHRCA1CA2 | |
| SCHEMBL21581907 | 0.78 | TSHR (0.44) | ALDH1A1THRBTSHRCA1CA2 | |
| SCHEMBL15963878 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL1310354 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL300405 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL15963882 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL513822 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL15961758 | 0.74 | MAOB (0.44) | — | |
| SCHEMBL7870044 | 0.74 | MAOB (0.44) | — |
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-2019227173-A1 | STABLE PROTEIN LIGANDS AS ANTI-INFECTIVE AGENTS | MONASH UNIVERSITY (AU) | 2019-12-05 | — | — | WO | disclosed |