Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 4/20 | 0.47 |
| ▸ | DRD3 | P35462 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29785537 | 1.00 | DRD2 (0.47) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL28817623 | 0.90 | DRD2 (0.45) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL29785588 | 0.90 | DRD2 (0.45) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL3132074 | 0.84 | DRD2 (0.49) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL29785558 | 0.84 | DRD2 (0.44) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL28817598 | 0.82 | DRD2 (0.47) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL29785528 | 0.82 | DRD2 (0.47) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL29785637 | 0.82 | DRD2 (0.49) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL29785539 | 0.82 | DRD2 (0.49) | DRD2DRD3ALDH1A1POLBGAA | |
| SCHEMBL3129358 | 0.82 | DRD2 (0.49) | DRD2DRD3ALDH1A1POLBGAA |
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-114763357-A | Indolopyrimidine tricyclic compound and preparation method and application thereof | 中国科学院上海药物研究所 | 2022-07-19 | — | — | CN | disclosed |