Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VDR | P11473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22717582 | 1.00 | VDR (0.46) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717445 | 0.89 | ALDH1A1 (0.47) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717528 | 0.86 | VDR (0.43) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717397 | 0.85 | POLQ (0.53) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL24770167 | 0.82 | POLQ (0.43) | KDM4EPLA2G2ASLC6A3SLC6A4POLQ | |
| SCHEMBL30017759 | 0.82 | POLQ (0.43) | KDM4EPLA2G2ASLC6A3SLC6A4POLQ | |
| SCHEMBL29574586 | 0.82 | SLC6A3 (0.47) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717423 | 0.82 | SLC6A3 (0.47) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717267 | 0.82 | ALDH1A1 (0.50) | VDRMAPTHSP90AA1HTTNPSR1 | |
| SCHEMBL22717287 | 0.81 | DHODH (0.47) | HTTALDH1A1HSD17B10HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3976608-A1 | THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS | Ideaya Biosciences, Inc. (US) | 2022-04-06 | — | — | EP | disclosed |