Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 2/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.36 |
| ▸ | ROS1 | P08922 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28999541 | 0.75 | CTSC (0.55) | EGFRDYRK1A | |
| SCHEMBL29763992 | 0.72 | MAPT (0.56) | TNIKMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL22817 | 0.72 | MAPT (0.56) | TNIKMAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL2127164 | 0.71 | ALDH1A1 (0.65) | MAPTNPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL2657596 | 0.71 | GAA (0.47) | MAPTNPC1RAB9AALDH1A1MAPK1 | |
| SCHEMBL13529531 | 0.69 | POLB (0.69) | MAPTNPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL2647288 | 0.69 | MEN1 (0.38) | MAPTNPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL28857802 | 0.69 | MAPK10 (0.47) | MAPTRAB9AALDH1A1GAASMN1; SMN2 | |
| SCHEMBL31143287 | 0.69 | KDR (0.51) | MAPTNPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL14127502 | 0.69 | KDR (0.51) | MAPTNPC1RAB9AALDH1A1L3MBTL1 |
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-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |