Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LATS1 | O95835 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16702153 | 0.79 | HASPIN (0.43) | HASPINMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL29337975 | 0.73 | CA12 (0.57) | ALDH1A1MAPTSMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL16702471 | 0.73 | HASPIN (0.45) | HASPINMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL740928 | 0.73 | TDP1 (0.51) | HASPINALDH1A1PTGS2CYP1A2CA12 | |
| SCHEMBL5643572 | 0.73 | — | — | |
| SCHEMBL10144088 | 0.71 | PTGS2 (0.49) | ALDH1A1MAPTPTGS2SMN1; SMN2CYP1A2 | |
| SCHEMBL9332596 | 0.71 | — | — | |
| SCHEMBL21151426 | 0.71 | — | — | |
| SCHEMBL16326502 | 0.71 | CA12 (0.33) | CA12CA1CA2CA9CA14 | |
| SCHEMBL14107672 | 0.69 | CYP3A4 (0.48) | HASPINMEN1KMT2AALDH1A1MAPT |
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-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |