Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 5/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17825573 | 0.68 | ALDH1A1 (0.39) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL28965648 | 0.67 | ALDH1A1 (0.38) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL16189881 | 0.64 | ALDH1A1 (0.39) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL1073971 | 0.64 | — | — | |
| SCHEMBL28672687 | 0.63 | ALDH1A1 (0.41) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL15864203 | 0.61 | SRC (0.40) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL2796721 | 0.60 | SRC (0.39) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL3131369 | 0.60 | ALDH1A1 (0.30) | ALDH1A1TSHRNPSR1CHEK1HTT | |
| SCHEMBL7781358 | 0.60 | ALDH1A1 (0.39) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR | |
| SCHEMBL13911357 | 0.60 | GAA (0.50) | ALDH1A1PARP1PDPK1SMN1; SMN2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111655695-A | Substituted furopyrimidines as PDE1 inhibitors | 达特神经科学有限公司 | 2020-09-11 | — | — | CN | claimed |
| CN-111655695-A | Substituted furopyrimidines as PDE1 inhibitors | 达特神经科学有限公司 | 2020-09-11 | — | — | CN | disclosed |
| WO-2014106800-A2 | SUBSTITUTED 2-AMINO PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2014-07-10 | — | — | WO | disclosed |