Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | UBE2N | P61088 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5793051 | 0.85 | L3MBTL1 (0.46) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL29279146 | 0.83 | AKR1C3 (0.42) | L3MBTL1HTTPKMMMP2ALDH1A1 | |
| SCHEMBL28538858 | 0.81 | CA1 (0.49) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL18951969 | 0.81 | CA1 (0.49) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL5795139 | 0.81 | ALDH1A1 (0.45) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL20534977 | 0.80 | RAPGEF4 (0.48) | POLBHTTRAPGEF4KDM4EALDH1A1 | |
| SCHEMBL4170909 | 0.78 | KDM4E (0.49) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL17397399 | 0.77 | CA1 (0.49) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL28649703 | 0.75 | CA1 (0.44) | CA1CA2L3MBTL1POLBHTT | |
| SCHEMBL28479304 | 0.75 | CA1 (0.53) | CA1CA2L3MBTL1POLBHTT |
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-111867590-A | Heterocyclic inhibitors of ATR kinase | 德州大学系统董事会 | 2020-10-30 | — | — | CN | disclosed |