Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.65 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 6/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.48 |
| ▸ | PRKACA | P17612 | 6/20 | 0.48 |
| ▸ | RPS6KB1 | P23443 | 6/20 | 0.48 |
| ▸ | GSK3A | P49840 | 6/20 | 0.48 |
| ▸ | GSK3B | P49841 | 6/20 | 0.48 |
| ▸ | RPS6KA3 | P51812 | 6/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.48 |
| ▸ | PRKG1 | Q13976 | 6/20 | 0.48 |
| ▸ | PKN2 | Q16513 | 6/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 6/20 | 0.48 |
| ▸ | HIPK4 | Q8NE63 | 6/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.48 |
| ▸ | CSNK1G3 | Q9Y6M4 | 6/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 5/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 5/20 | 0.48 |
| ▸ | SGK2 | Q9HBY8 | 5/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31318779 | 0.82 | CHEK2 (0.69) | MAPKAPK2CXCR2CHEK2PRKACARPS6KB1 | |
| SCHEMBL14024268 | 0.82 | CHEK2 (0.69) | MAPKAPK2CXCR2CHEK2PRKACARPS6KB1 | |
| SCHEMBL510619 | 0.81 | HTT (0.58) | ABCB1ABCG2KDM4EHPGDTSHR | |
| SCHEMBL28637301 | 0.80 | ABCB1 (0.57) | MAPKAPK2ABCB1ABCG2CXCR2CHEK2 | |
| SCHEMBL4375983 | 0.79 | MAPKAPK2 (1.00) | MAPKAPK2CHEK2PRKACARPS6KB1GSK3A | |
| SCHEMBL3747115 | 0.79 | MAPKAPK2 (0.66) | MAPKAPK2CXCR2KDM4EHPGDTSHR | |
| SCHEMBL7894067 | 0.75 | LOXL2 (0.59) | MAPKAPK2CHEK2PRKACARPS6KB1GSK3A | |
| SCHEMBL30673020 | 0.74 | CNR1 (0.46) | ABCG2CXCR2CHEK2PRKACARPS6KB1 | |
| SCHEMBL1680561 | 0.74 | LOXL2 (0.57) | ABCB1ABCG2KDM4EHPGDTSHR | |
| SCHEMBL8371911 | 0.73 | ABCB1 (0.50) | ABCB1ABCG2CXCR2ABCC1TSHR |
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-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | claimed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | claimed |
| US-5466712-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-11-14 | — | — | US | claimed |
| US-5605909-A | REDUCING ADVERSE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-02-25 | — | — | US | disclosed |
| US-5532245-A | TO REDUCE SMOOTH MUSCLE CONTRACTIONS; TREATMENT FOR URINARY INCONTINENCE, IRITABLE BOWEL SYNDROME | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-07-02 | — | — | US | disclosed |
| US-5466712-A | Smooth muscle relaxants | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-11-14 | — | — | US | disclosed |