Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29950647 | 0.85 | CYP1A2 (0.55) | ALDH1A1NPSR1HSD17B10CYP2C19ESR1 | |
| SCHEMBL986881 | 0.85 | CYP1A2 (0.55) | ALDH1A1NPSR1HSD17B10CYP2C19ESR1 | |
| SCHEMBL15674823 | 0.83 | EGFR (0.48) | ALDH1A1SMN1; SMN2HTTNPSR1HSD17B10 | |
| SCHEMBL1506563 | 0.80 | ENPP2 (0.48) | ALDH1A1SMN1; SMN2HTTHSD17B10CYP2C19 | |
| SCHEMBL29951292 | 0.80 | LIPE (0.62) | ALDH1A1CYP2C19KDM4EMAPTMAPK1 | |
| SCHEMBL15674928 | 0.80 | LIPE (0.62) | ALDH1A1CYP2C19KDM4EMAPTMAPK1 | |
| SCHEMBL2942871 | 0.80 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HTTPOLBNPSR1 | |
| SCHEMBL12024868 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HTTPOLBNPSR1 | |
| SCHEMBL11436470 | 0.78 | KDM4E (0.62) | ALDH1A1SMN1; SMN2HTTPOLBNPSR1 | |
| SCHEMBL15674841 | 0.77 | KDM4E (0.40) | ALDH1A1SMN1; SMN2HTTNPSR1HSD17B10 |
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 |