Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CCR1 | P32246 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | CCR8 | P51685 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1534512 | 1.00 | CA1 (0.46) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL7399409 | 0.81 | CA1 (0.46) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL29935679 | 0.81 | CA1 (0.46) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL1534375 | 0.81 | CA1 (0.46) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL1461253 | 0.79 | TRIM24 (0.48) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL29955862 | 0.79 | CA1 (0.44) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL19641190 | 0.77 | CCR1 (0.42) | CA1CA2CCR1CCR5CCR8 | |
| SCHEMBL30498408 | 0.76 | CA1 (0.37) | CA1CA2KMT2AMCL1ERN1 | |
| SCHEMBL25758165 | 0.76 | CA1 (0.37) | CA1CA2KMT2AMCL1ERN1 | |
| SCHEMBL11755564 | 0.75 | ALDH1A1 (0.39) | CCR1CCR5CCR8RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |