Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7898357 | 0.84 | GRM2 (0.48) | VNN1PPARAKCNN3PPARG | |
| SCHEMBL7895179 | 0.82 | PLK1 (0.53) | EPHX2NR1H4VNN1HDAC3HDAC4 | |
| SCHEMBL8634293 | 0.82 | PLK1 (0.53) | EPHX2NR1H4VNN1HDAC3HDAC4 | |
| SCHEMBL7894060 | 0.81 | CHEK1 (0.45) | EPHX2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL7887068 | 0.81 | NPC1 (0.43) | BRD4SMN1; SMN2HPGDHTTMEN1 | |
| SCHEMBL7886881 | 0.75 | LOXL2 (0.50) | EPHX2VNN1HDAC6PPARAHPGD | |
| SCHEMBL8381720 | 0.75 | GSK3A (0.55) | HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL7895082 | 0.74 | RPS6KB1 (0.39) | EPHX2NR1H4VNN1PPARAPPARG | |
| SCHEMBL12933409 | 0.74 | EPHX2 (0.52) | EPHX2NR1H4VNN1HDAC3HDAC4 | |
| SCHEMBL7894225 | 0.72 | RPS6KB1 (0.45) | — |
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 8 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 | claimed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | claimed |
| US-5750574-A | ADMINISTERING TO REDUCE THE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-05-12 | — | — | US | claimed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | claimed |
| 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-5750574-A | ADMINISTERING TO REDUCE THE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |