Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 5/20 | 0.45 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.40 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.40 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.40 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL8767798 | 0.89 | ABCC9 (0.53) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768875 | 0.82 | CXCR2 (0.43) | CXCR2MAPTCRHBPCRHR2NPSR1 | |
| SCHEMBL8767825 | 0.82 | CXCR2 (0.44) | CXCR2MAPTCRHBPCRHR2NPSR1 | |
| SCHEMBL8768608 | 0.74 | RORC (0.40) | CXCR2ALDH1A1GSK3AGSK3BKCNA5 | |
| SCHEMBL8768882 | 0.74 | CXCR2 (0.50) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768638 | 0.74 | ADAMTS5 (0.44) | CXCR2CRHBPCRHR2KCNN4KCNA5 | |
| SCHEMBL8768944 | 0.72 | GAA (0.50) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8870610 | 0.71 | ABCC9 (0.53) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8870608 | 0.71 | ABCC9 (0.53) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768956 | 0.70 | ADAMTS5 (0.46) | MAPTNPSR1KDM4EALDH1A1GAA |
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 5 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 |
| 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 | 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 |
| 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 | disclosed |