Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.46 |
| ▸ | PLK1 | P53350 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4370003 | 0.78 | MAPKAPK2 (0.50) | ADAMTS5PLK1NR3C2CXCR2 | |
| SCHEMBL8768875 | 0.77 | CXCR2 (0.43) | ADAMTS5NR3C2CXCR2MAPT | |
| SCHEMBL8768956 | 0.71 | ADAMTS5 (0.46) | ADAMTS5HDAC1LMNAGAAPOLB | |
| SCHEMBL8870928 | 0.71 | POLB (0.60) | ADAMTS5PLK1HDAC1LMNAGAA | |
| SCHEMBL8870080 | 0.71 | MAPKAPK2 (0.62) | PLK1HDAC1 | |
| SCHEMBL9149213 | 0.71 | MAPKAPK2 (0.62) | PLK1HDAC1 | |
| SCHEMBL8769034 | 0.70 | FES (0.59) | PLK1HDAC1HTTPOLBCXCR2 | |
| SCHEMBL4364985 | 0.70 | SMN1; SMN2 (0.38) | ADAMTS5HTTNR3C2POLBCXCR2 | |
| SCHEMBL4366400 | 0.70 | CXCR2 (0.40) | ADAMTS5NR3C2CXCR2 | |
| SCHEMBL4370733 | 0.70 | MAPKAPK2 (0.38) | ADAMTS5NR3C2CXCR2 |
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 2 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 |