Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CKS1B | P61024 | 1/20 | 0.38 |
| ▸ | SKP1 | P63208 | 1/20 | 0.38 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 7/20 | 0.35 |
| ▸ | CA2 | P00918 | 7/20 | 0.35 |
| ▸ | CA12 | O43570 | 5/20 | 0.35 |
| ▸ | CA9 | Q16790 | 5/20 | 0.35 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30006618 | 0.94 | CA1 (0.38) | CKS1BSKP1SKP2HDAC1HDAC3 | |
| SCHEMBL30005928 | 0.86 | HDAC1 (0.35) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL30004674 | 0.83 | ALDH1A1 (0.46) | HDAC1ALDH1A1CA1CA2CA12 | |
| SCHEMBL30005644 | 0.79 | KMT2A (0.45) | HDAC1HDAC3HDAC2NCOR2ALDH1A1 | |
| SCHEMBL30005739 | 0.74 | KMT2A (0.50) | HDAC1ALDH1A1CA1CA2KMT2A | |
| SCHEMBL25380568 | 0.72 | HDAC1 (0.45) | HDAC1HDAC3HDAC2NCOR2NQO2 | |
| SCHEMBL30563260 | 0.72 | HDAC1 (0.45) | HDAC1HDAC3HDAC2NCOR2NQO2 | |
| SCHEMBL19300698 | 0.70 | CETP (0.44) | — | |
| SCHEMBL30006749 | 0.69 | KMT2A (0.45) | ALDH1A1KMT2A | |
| SCHEMBL13055403 | 0.69 | CA14 (0.54) | CKS1BSKP1SKP2ALDH1A1CA1 |
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-2022220725-A1 | LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS | ZAMARATSKI EDOUARD (SE) | 2022-10-20 | — | — | WO | disclosed |