Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR1 | P25024 | 13/20 | 0.59 |
| ▸ | CXCR2 | P25025 | 13/20 | 0.59 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.44 |
| ▸ | CCR6 | P51684 | 2/20 | 0.44 |
| ▸ | CCR4 | P51679 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL18314628 | 0.91 | CXCR1 (0.62) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14904765 | 0.91 | CXCR1 (0.62) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14904743 | 0.84 | CXCR1 (0.62) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL18314633 | 0.84 | CXCR1 (0.62) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL18314629 | 0.82 | CXCR1 (0.60) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14904768 | 0.82 | CXCR1 (0.60) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14905801 | 0.80 | CXCR2 (0.69) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14894913 | 0.80 | CXCR2 (0.69) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14905800 | 0.80 | CXCR2 (0.60) | CXCR1CXCR2CXCR3CCR6CCR4 | |
| SCHEMBL14894976 | 0.80 | CXCR2 (0.60) | CXCR1CXCR2CXCR3CCR6CCR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9580412-B2 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2017-02-28 | — | — | US | disclosed |
| US-9580412-B2 | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases | GALDERMA RESEARCH & DEVELOPMENT (FR) | 2017-02-28 | — | — | US | disclosed |