Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.44 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.43 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.43 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.43 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.43 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.40 |
| ▸ | FLT1 | P17948 | 2/20 | 0.39 |
| ▸ | FLT4 | P35916 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | GAK | O14976 | 2/20 | 0.38 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.38 |
| ▸ | COQ8A | Q8NI60 | 2/20 | 0.38 |
| ▸ | NLK | Q9UBE8 | 2/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4407734 | 0.85 | ABCC9 (0.59) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768944 | 0.85 | GAA (0.50) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL6105640 | 0.84 | GAA (0.62) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL6642520 | 0.78 | POLB (0.63) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768090 | 0.76 | POLB (0.51) | GAAPOLBCXCR2MAPTFLT1 | |
| SCHEMBL8670509 | 0.74 | ABCC9 (0.70) | LRRK2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8670505 | 0.74 | ABCC9 (0.70) | LRRK2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8369789 | 0.72 | CYP1A2 (0.50) | GAAPOLBMAPTGAK | |
| SCHEMBL7898502 | 0.72 | ABCC9 (0.41) | GAAABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL15869350 | 0.71 | TRPV4 (0.56) | GAATRPV4MAPTAR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0729457-B1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PROD (US) | 1998-12-23 | — | — | EP | disclosed |
| EP-0729457-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5506252-A | MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-04-09 | — | — | US | disclosed |
| WO-1995014005-A1 | DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1995-05-26 | — | — | WO | disclosed |