Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.38 |
| ▸ | ERN1 | O75460 | 5/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL23536227 | 0.80 | ALDH1A1 (0.45) | CA1CA2ERN1ALDH1A1KDM4E | |
| SCHEMBL17378319 | 0.78 | PRKDC (0.44) | CA1CA2ERN1ALDH1A1KDM4E | |
| SCHEMBL23143277 | 0.78 | CA1 (0.38) | CA1CA2ERN1ALDH1A1KDM4E | |
| SCHEMBL19063459 | 0.78 | PDE4D (0.42) | PDE4DALDH1A1KDM4EHSD17B10GAA | |
| SCHEMBL9142540 | 0.75 | CYP1A2 (0.35) | ERN1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL21121078 | 0.74 | ALDH1A1 (0.44) | ERN1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL29955677 | 0.74 | ALDH1A1 (0.44) | ERN1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL18807885 | 0.74 | CA1 (0.39) | CA1CA2PDE4DERN1ALDH1A1 | |
| SCHEMBL1919936 | 0.74 | TDP1 (0.37) | ERN1ALDH1A1TDP1 | |
| SCHEMBL30592395 | 0.74 | TDP1 (0.37) | ERN1ALDH1A1TDP1 |
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 |