Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | ALB | P02768 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7895710 | 1.00 | HPGD (0.36) | HPGDHSD17B10ARTTRALB | |
| SCHEMBL15322142 | 0.77 | AR (0.37) | ARTTRALBGPR35 | |
| SCHEMBL15321415 | 0.77 | AR (0.37) | ARTTRALBGPR35 | |
| SCHEMBL7886979 | 0.77 | HPGD (0.41) | HPGDHSD17B10SMN1; SMN2AKR1B1 | |
| SCHEMBL7886977 | 0.77 | HPGD (0.41) | HPGDHSD17B10SMN1; SMN2AKR1B1 | |
| SCHEMBL15320939 | 0.71 | AR (0.33) | ARGPR35 | |
| SCHEMBL1175832 | 0.71 | TTR (0.48) | HSD17B10ARTTRALBGPR35 | |
| SCHEMBL29451006 | 0.71 | TTR (0.48) | HSD17B10ARTTRALBGPR35 | |
| SCHEMBL1145042 | 0.71 | AR (0.44) | ARTTRALB | |
| SCHEMBL13696502 | 0.70 | AR (0.42) | ARTTRALBGRM5GPR35 |
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 |