Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA7 | P43166 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11042233 | 0.69 | — | — | |
| SCHEMBL5597627 | 0.67 | NOS1 (0.32) | — | |
| SCHEMBL2661168 | 0.66 | — | — | |
| Silver SCHEMBL29163240 | 0.66 | CA1 (0.74) | CA1CA2CA7CA9ALDH1A1 | |
| Acetone SCHEMBL4377957 | 0.62 | CA1 (0.81) | CA1CA2CA7CA9ALDH1A1 | |
| Methyl Alcohol SCHEMBL3930226 | 0.62 | CA1 (0.90) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL17986 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL3658029 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9ALDH1A1 | |
| SCHEMBL29350272 | 0.62 | CA1 (1.00) | CA1CA2CA7CA9ALDH1A1 | |
| Acetic Acid SCHEMBL28827253 | 0.61 | CA1 (0.71) | CA1CA2CA7CA9ALDH1A1 |
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-4094687-A | A DIIMINOPIPERAZINE-ALDEHYDE CONDENSATION PRODUCT AND CYCLIC POLYKETO COMPOUND | GRAPHIC CONTROLS CORPORATION | 1978-06-13 | — | — | US | disclosed |