Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | LCK | P06239 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19986682 | 0.88 | TSHR (0.45) | SLC6A3MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL19986683 | 0.87 | KDR (0.38) | MAPTTP53KDRAPEX1NPC1 | |
| SCHEMBL19986681 | 0.81 | TSHR (0.47) | MAPTTP53KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL19986558 | 0.78 | KDR (0.39) | SLC6A3MAPTTP53KDRNPC1 | |
| SCHEMBL19986629 | 0.77 | TSHR (0.44) | MAPTTP53KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL19986671 | 0.75 | EPHX2 (0.49) | SLC6A3MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL19986559 | 0.74 | TSHR (0.46) | SLC6A3MAPTTP53KDM4EALDH1A1 | |
| SCHEMBL19986556 | 0.74 | TSHR (0.48) | MAPTTP53KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL19986554 | 0.72 | MEN1 (0.47) | SLC6A3MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL19986634 | 0.71 | KMT2A (0.41) | MAPTTP53ALDH1A1MEN1KMT2A |
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 |