Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.37 |
| ▸ | MERTK | Q12866 | 1/20 | 0.37 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768608 | 0.85 | RORC (0.40) | CXCR2ALDH1A1ADAMTS5 | |
| SCHEMBL8768875 | 0.84 | CXCR2 (0.43) | CXCR2MAPTABCG2ADAMTS5NPSR1 | |
| SCHEMBL8768956 | 0.82 | ADAMTS5 (0.46) | MAPTTHRBRAB9AALDH1A1LMNA | |
| SCHEMBL8768638 | 0.75 | ADAMTS5 (0.44) | CXCR2ABCG2ADAMTS5KMT2A | |
| SCHEMBL8767677 | 0.73 | KCNH2 (0.54) | CXCR2MAPTTHRBKCNJ1KCNH2 | |
| SCHEMBL8870223 | 0.72 | CXCR2 (0.51) | CXCR2MAPTTHRBRAB9AKCNJ1 | |
| SCHEMBL8870227 | 0.72 | CXCR2 (0.51) | CXCR2MAPTTHRBRAB9AKCNJ1 | |
| SCHEMBL31257790 | 0.71 | MEN1 (0.61) | MAPTTHRBKCNJ1KCNH2ALDH1A1 | |
| SCHEMBL8768157 | 0.68 | CXCR2 (0.45) | CXCR2MAPTALDH1A1KDM4ENPSR1 | |
| SCHEMBL8767798 | 0.68 | ABCC9 (0.53) | CXCR2MAPTALDH1A1ADAMTS5KDM4E |
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 |