Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | FGFR3 | P22607 | 7/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.42 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL26406701 | 0.94 | ALDH1A1 (0.42) | SMN1; SMN2KDM4EALDH1A1HTTHTR1A | |
| SCHEMBL17660614 | 0.93 | CCR4 (0.44) | SMN1; SMN2KDM4EALDH1A1ABCB1 | |
| SCHEMBL17306128 | 0.92 | ALDH1A1 (0.54) | SMN1; SMN2KDM4EALDH1A1HTTHTR1A | |
| SCHEMBL20458023 | 0.91 | KDM2B (0.47) | SMN1; SMN2KDM4EALDH1A1HTTFGFR3 | |
| SCHEMBL26484763 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HTR1ADRD2DRD3 | |
| SCHEMBL17660577 | 0.85 | DRD2 (0.43) | SMN1; SMN2KDM4EALDH1A1HTR1AADRA1D | |
| SCHEMBL24123770 | 0.84 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1HTTHTR1AADRA1A | |
| SCHEMBL12354671 | 0.84 | ACACB (0.43) | KDM4EALDH1A1HTR1A | |
| SCHEMBL26484765 | 0.83 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1HTTHTR1A | |
| SCHEMBL26484766 | 0.82 | ADRA1D (0.43) | ADRA1DADRA1AADRA1BDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023075479-A1 | NOVEL THIENO[2,3-D]PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR AUTOIMMUNE DISEASE COMPRISING SAME AS ACTIVE INGREDIENT | 재단법인 대구경북첨단의료산업진흥재단 | 2023-05-04 | — | — | WO | disclosed |