Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | IDH1 | O75874 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.35 |
| ▸ | PDE5A | O76074 | 5/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.34 |
| ▸ | PRKACA | P17612 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | MATK | P42679 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | NEK4 | P51957 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7895007 | 0.87 | CHEK1 (0.41) | POLBGAAMAPTIDH1PDE5A | |
| SCHEMBL7895099 | 0.81 | LOXL2 (0.46) | POLBGAAMAPTCHEK2PRKACA | |
| SCHEMBL7895727 | 0.80 | ABCC9 (0.37) | IDH1PDE5AROCK2CHEK2PRKACA | |
| SCHEMBL7898502 | 0.77 | ABCC9 (0.41) | POLBGAAMAPTIDH1PDE5A | |
| SCHEMBL7895070 | 0.76 | ABCC9 (0.55) | MAPK9PDE5AROCK2CHEK2PRKACA | |
| SCHEMBL13355348 | 0.76 | CLK2 (0.52) | POLBGAAMAPTROCK2CHEK2 | |
| SCHEMBL22320268 | 0.73 | GAA (0.50) | POLBGAAMAPTHSD17B10HTT | |
| SCHEMBL9208078 | 0.73 | GAA (0.52) | POLBGAAMAPTHSD17B10ALDH1A1 | |
| SCHEMBL12092541 | 0.71 | CHEK2 (0.49) | POLBGAAMAPTROCK2CHEK2 | |
| SCHEMBL31155173 | 0.70 | MAPT (0.50) | POLBGAAMAPTHSD17B10HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |