Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.33 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27951598 | 0.89 | CHRM2 (0.36) | ALDH1A1CHRM2CHRM1HTTMEN1 | |
| SCHEMBL27593641 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CHRM2CHRM1KMT2APOLB | |
| SCHEMBL27593507 | 0.82 | CHRM2 (0.39) | ALDH1A1HSD17B10CHRM2CHRM1HTT | |
| SCHEMBL27669965 | 0.80 | ADRA2C (0.42) | ALDH1A1HSD17B10CHRM2CHRM1HTT | |
| SCHEMBL27605812 | 0.77 | PARG (0.40) | CHRM2CHRM1HTTMEN1KMT2A | |
| SCHEMBL27788104 | 0.76 | CHRM2 (0.50) | CHRM2CHRM1POLBDRD2DRD1 | |
| SCHEMBL27845916 | 0.76 | SMN1; SMN2 (0.40) | ALDH1A1CHRM2CHRM1HTTMEN1 | |
| SCHEMBL27913253 | 0.74 | CASP3 (0.41) | — | |
| SCHEMBL28751217 | 0.73 | L3MBTL1 (0.49) | ALDH1A1MEN1KMT2ACA1CA2 | |
| SCHEMBL27745075 | 0.71 | CA1 (0.43) | ALDH1A1HTTMEN1KMT2APOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103958505-A | Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated pathologies | GALDERMA RES & AMP | 2014-07-30 | — | — | CN | disclosed |