Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | PADI1 | Q9ULC6 | 5/20 | 0.53 |
| ▸ | PADI4 | Q9UM07 | 5/20 | 0.53 |
| ▸ | PADI2 | Q9Y2J8 | 4/20 | 0.53 |
| ▸ | PDE4A | P27815 | 3/20 | 0.53 |
| ▸ | PADI3 | Q9ULW8 | 3/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.53 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.53 |
| ▸ | PADI6 | Q6TGC4 | 1/20 | 0.53 |
| ▸ | HPGDS | O60760 | 4/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.44 |
| ▸ | CTSK | P43235 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24945572 | 1.00 | CTRB1 (0.55) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL989155 | 0.86 | CA2 (0.65) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL989156 | 0.86 | CA2 (0.65) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL3447634 | 0.86 | CA2 (0.65) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL5569820 | 0.84 | PADI1 (0.55) | CA1CA12CA9CA2PADI1 | |
| SCHEMBL3190128 | 0.84 | PADI1 (0.55) | CA1CA12CA9CA2PADI1 | |
| Ethylenediamine SCHEMBL2476802 | 0.83 | CA2 (0.62) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL20277616 | 0.81 | HPGDS (0.71) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL17244326 | 0.81 | HPGDS (0.71) | CTRB1CA1CA12CA9CA2 | |
| SCHEMBL4194914 | 0.80 | HPGDS (0.65) | CA1CA12CA9CA2PADI1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023004171-A1 | ELECTRICALLY FUELED ACTIVE SUPRAMOLECULAR MATERIALS, AND APPLICATIONS THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-01-26 | — | — | WO | disclosed |