Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 4/20 | 0.50 |
| ▸ | CCNC | P24863 | 2/20 | 0.46 |
| ▸ | CDK8 | P49336 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.44 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.44 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | FES | P07332 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | FLT4 | P35916 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768922 | 0.79 | CXCR2 (0.50) | CXCR2CCNCCDK8MEN1KMT2A | |
| SCHEMBL8870610 | 0.76 | ABCC9 (0.53) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8870608 | 0.76 | ABCC9 (0.53) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768157 | 0.74 | CXCR2 (0.45) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8768613 | 0.73 | GSK3B (0.50) | CXCR2MEN1KMT2ACTDSP1HDAC1 | |
| SCHEMBL8768944 | 0.72 | GAA (0.50) | CXCR2ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL19956899 | 0.70 | MEN1 (0.63) | CXCR2MEN1KMT2ACTDSP1POLB | |
| SCHEMBL30673020 | 0.69 | CNR1 (0.46) | CXCR2MEN1KMT2AHDAC1FES | |
| SCHEMBL5765787 | 0.69 | CCNC (0.57) | CCNCCDK8CDKN1ACDK19POLB | |
| SCHEMBL8768997 | 0.68 | CXCR2 (0.42) | CXCR2CCNCCDK8MEN1KMT2A |
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 |