Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL78317 | 1.00 | ALDH1A1 (0.59) | ALDH1A1TP53CA1CA2TDP1 | |
| SCHEMBL78586 | 0.84 | SMN1; SMN2 (0.59) | ALDH1A1TP53CA1CA2TDP1 | |
| SCHEMBL28833440 | 0.82 | ALDH1A1 (0.57) | ALDH1A1TP53CA1CA2TSHR | |
| SCHEMBL11612955 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TP53TDP1SMN1; SMN2HSD17B10 | |
| SCHEMBL2392328 | 0.78 | ABL1 (0.56) | ALDH1A1TDP1ERN1KDM4EHPGD | |
| SCHEMBL31098827 | 0.78 | ABL1 (0.56) | ALDH1A1TDP1ERN1KDM4EHPGD | |
| SCHEMBL11531926 | 0.78 | HPGD (0.51) | ALDH1A1TP53TDP1SMN1; SMN2ERN1 | |
| SCHEMBL2552506 | 0.78 | ALDH1A1 (0.47) | ALDH1A1TP53CA1CA2TDP1 | |
| SCHEMBL3040058 | 0.78 | ERN1 (0.49) | ALDH1A1TP53CA1CA2TDP1 | |
| SCHEMBL436351 | 0.78 | ALDH1A1 (0.48) | ALDH1A1KDM4ECYP2C9 |
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 |