Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653551 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPTTDP1MEN1 | |
| SCHEMBL11553055 | 0.81 | ALDH1A1 (0.53) | ALDH1A1CYP3A4MAPTTDP1MEN1 | |
| SCHEMBL3224329 | 0.79 | ERN1 (0.47) | ERN1ALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL15681583 | 0.79 | ALDH1A1 (0.49) | ERN1ALDH1A1CYP3A4MAPTTDP1 | |
| SCHEMBL29955731 | 0.79 | TDP1 (0.43) | ERN1ALDH1A1CYP3A4MAPTTDP1 | |
| SCHEMBL29952954 | 0.79 | ALDH1A1 (0.54) | ERN1ALDH1A1CYP3A4MAPTTDP1 | |
| SCHEMBL17785642 | 0.79 | ERN1 (0.47) | ERN1ALDH1A1CYP3A4MAPTTDP1 | |
| SCHEMBL29952291 | 0.76 | PRKDC (0.48) | ERN1ALDH1A1MAPTTDP1MEN1 | |
| SCHEMBL2721914 | 0.76 | ALDH1A1 (0.53) | ERN1ALDH1A1CYP3A4MAPTALOX15 | |
| SCHEMBL13609636 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP3A4MAPTTDP1MEN1 |
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 |