Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 8/20 | 0.38 |
| ▸ | CA2 | P00918 | 8/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CKS1B | P61024 | 1/20 | 0.35 |
| ▸ | SKP1 | P63208 | 1/20 | 0.35 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30006097 | 0.94 | PARP1 (0.38) | CA1CA2CA12CA9HDAC3 | |
| SCHEMBL30005928 | 0.85 | HDAC1 (0.35) | HDAC3HDAC1HDAC2NCOR2METAP2 | |
| SCHEMBL30004674 | 0.81 | ALDH1A1 (0.46) | CA1CA2CA14CA12HDAC1 | |
| SCHEMBL30005567 | 0.79 | ALDH1A1 (0.46) | CA1CA2ALDH1A1MEN1GAA | |
| SCHEMBL30005644 | 0.77 | KMT2A (0.45) | HDAC3HDAC1HDAC2NCOR2ALDH1A1 | |
| SCHEMBL25380568 | 0.77 | HDAC1 (0.45) | CA14HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL30563260 | 0.77 | HDAC1 (0.45) | CA14HDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL22175713 | 0.75 | CA14 (0.47) | CA1CA2CA14CA12CA9 | |
| SCHEMBL13237 | 0.75 | CA14 (0.47) | CA1CA2CA14CA12CA9 | |
| SCHEMBL14328 | 0.73 | CA14 (0.45) | CA1CA2CA14CA12CA9 |
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 |