Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15330692 | 1.00 | ALDH1A1 (0.50) | ALDH1A1ALOX15TRPA1HSP90AA1CXCR5 | |
| SCHEMBL3613341 | 0.87 | CXCR5 (0.53) | ALDH1A1ALOX15TRPA1CXCR5KDM4E | |
| SCHEMBL29493191 | 0.87 | CXCR5 (0.56) | ALDH1A1ALOX15TRPA1CXCR5GFER | |
| SCHEMBL783869 | 0.87 | CXCR5 (0.56) | ALDH1A1ALOX15TRPA1CXCR5GFER | |
| SCHEMBL5755502 | 0.85 | CXCR5 (0.55) | ALDH1A1ALOX15CXCR5GFER | |
| Hydrochloric Acid SCHEMBL2398251 | 0.85 | CXCR5 (0.55) | ALDH1A1ALOX15CXCR5GFER | |
| SCHEMBL16990754 | 0.83 | ALDH1A1 (0.42) | ALDH1A1ALOX15TRPA1HSP90AA1CXCR5 | |
| SCHEMBL242419 | 0.82 | AKR1C3 (0.57) | ALDH1A1CXCR5NR4A1KDM4EMAPT | |
| SCHEMBL4915504 | 0.82 | TRPA1 (0.56) | ALDH1A1ALOX15TRPA1HSP90AA1TSHR | |
| SCHEMBL11524733 | 0.82 | AKR1B1 (0.56) | ALDH1A1ALOX15TRPA1HSP90AA1KDM4E |
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 |