Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | LY96 | Q9Y6Y9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALPI | P09923 | 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 | |
|---|---|---|---|---|
| SCHEMBL50072 | 0.97 | — | — | |
| SCHEMBL29418131 | 0.97 | — | — | |
| Biphenyl SCHEMBL27652528 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HSD11B1IKBKBDYRK2TSHR | |
| Ethylene Glycol SCHEMBL5831842 | 0.86 | HSD11B1 (0.44) | ALDH1A1HSD11B1IKBKBDYRK2TSHR | |
| SCHEMBL7209006 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HSD11B1IKBKBDYRK2TSHR | |
| SCHEMBL28430559 | 0.83 | HSD11B1 (0.41) | ALDH1A1HSD11B1IKBKBDYRK2BCHE | |
| SCHEMBL30863943 | 0.80 | — | — | |
| SCHEMBL5257067 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HSD11B1IKBKBDYRK2SMN1; SMN2 | |
| Allylbenzene SCHEMBL7209008 | 0.80 | MAOB (0.40) | ALDH1A1HSD11B1TSHRSMN1; SMN2KMT2A | |
| SCHEMBL7549374 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HSD11B1IKBKBDYRK2TSHR |
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-5531900-A | FOR REMOVING NEGATIVELY CHARGED MACROMOLECULAR AND COLLOIDAL CONTAMINANATS | UNIVERSITY OF ARIZONA (US) | 1996-07-02 | — | — | US | disclosed |