Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 2/20 | 0.36 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.36 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.36 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | PLK4 | O00444 | 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 | |
|---|---|---|---|---|
| SCHEMBL8369858 | 0.83 | MGLL (0.43) | ABCB1ABCG2POLBCDC7PLK4 | |
| SCHEMBL8870428 | 0.77 | ROCK1 (0.49) | CXCR2HPGDCDC7PLK4DAPK3 | |
| SCHEMBL8870420 | 0.77 | ROCK1 (0.49) | CXCR2HPGDCDC7PLK4DAPK3 | |
| SCHEMBL8370834 | 0.76 | CDC7 (0.52) | CXCR2MEN1KMT2ACDC7PLK4 | |
| SCHEMBL8369802 | 0.74 | CDC7 (0.48) | CXCR2MEN1KMT2ACDC7PLK4 | |
| SCHEMBL8768996 | 0.74 | MAPT (0.39) | MEN1KMT2AHPGDPOLBNPC1 | |
| SCHEMBL8369527 | 0.74 | CDC7 (0.53) | MEN1KMT2ACDC7PLK4DAPK3 | |
| SCHEMBL8369762 | 0.72 | PLK1 (0.69) | CDC7PLK4DAPK3ROCK2CHEK2 | |
| SCHEMBL8369755 | 0.72 | PLK1 (0.69) | CDC7PLK4DAPK3ROCK2CHEK2 | |
| SCHEMBL1705319 | 0.69 | CA2 (0.45) | GSK3BALDH1A1 |
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 |