Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA9 | Q16790 | 3/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 5/20 | 0.45 |
| ▸ | KCNN4 | O15554 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2636049 | 0.83 | GFER (0.55) | CA12CA2CA9CA1GFER | |
| SCHEMBL28501126 | 0.79 | GFER (0.48) | CA12CA2CA9CA1GFER | |
| SCHEMBL29961896 | 0.79 | GFER (0.48) | CA12CA2CA9CA1GFER | |
| SCHEMBL7158136 | 0.78 | NPSR1 (0.39) | CA12CA2CA9CA1GFER | |
| SCHEMBL1751529 | 0.77 | GFER (0.50) | CA12CA2CA9CA1GFER | |
| SCHEMBL30055201 | 0.77 | HSP90AA1 (0.60) | CA12CA2CA9CA1GFER | |
| SCHEMBL27167261 | 0.77 | HSP90AA1 (0.60) | CA12CA2CA9CA1GFER | |
| SCHEMBL28909500 | 0.77 | GFER (0.47) | CA12CA2CA9CA1GFER | |
| SCHEMBL29941936 | 0.77 | GFER (0.47) | CA12CA2CA9CA1GFER | |
| SCHEMBL667669 | 0.77 | GFER (0.57) | CA12CA2CA9CA1GFER |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944581-A4 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | LILLY CO ELI (US) | 2004-09-08 | — | — | EP | disclosed |
| US-6069247-A | REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID | ELI LILLY AND COMPANY (US) | 2000-05-30 | — | — | US | disclosed |
| EP-0944581-A1 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | ELI LILLY AND COMPANY (US) | 1999-09-29 | — | — | EP | disclosed |
| US-5917038-A | REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |
| WO-1998022429-A1 | PROCESS OF PREPARING SUBSTITUTED ACRYLAMIDES | ELI LILLY AND COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |