Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 7/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29508388 | 0.85 | EPHX1 (0.44) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL7598049 | 0.81 | EPHX1 (0.41) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL7598055 | 0.81 | EPHX1 (0.41) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL7600034 | 0.80 | EPHX1 (0.40) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL8382659 | 0.78 | EPHX1 (0.52) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL27756824 | 0.77 | EPHX1 (0.50) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL2551779 | 0.77 | EPHX1 (0.50) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL5128756 | 0.77 | EPHX1 (0.50) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL7819315 | 0.75 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2EPHX1HPGD | |
| SCHEMBL30738160 | 0.75 | EPHX1 (0.42) | NPC1RAB9ASMN1; SMN2EPHX1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934257-B1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | WYETH CORP (US) | 2002-12-11 | — | — | EP | disclosed |
| 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 |
| US-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |