Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 2/20 | 0.39 |
| ▸ | PRKCI | P41743 | 3/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.36 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 2/20 | 0.33 |
| ▸ | FYN | P06241 | 5/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.32 |
| ▸ | TPX2 | Q9ULW0 | 2/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | CHUK | O15111 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24520016 | 0.90 | CHEK1 (0.42) | CHEK1PIK3CAATRMETPRKCI | |
| SCHEMBL17969583 | 0.85 | MET (0.41) | CHEK1PIK3CAATRMETPRKCI | |
| SCHEMBL24519992 | 0.85 | FYN (0.35) | TGFBR1TGFBR2FYNCDK9CDK5 | |
| SCHEMBL16625826 | 0.79 | LRRK2 (0.43) | CHEK1PIK3CAATRMETTGFBR1 | |
| SCHEMBL16626057 | 0.78 | MKNK1 (0.55) | CHEK1PIK3CAATRCDK8 | |
| SCHEMBL16620611 | 0.78 | MKNK1 (0.53) | CHEK1PIK3CAATRAURKBJAK2 | |
| SCHEMBL17969588 | 0.77 | CHEK1 (0.36) | CHEK1PIK3CAATRMETPRKCI | |
| SCHEMBL24520039 | 0.77 | TGFBR1 (0.36) | TGFBR1TGFBR2FYN | |
| SCHEMBL24520079 | 0.76 | FYN (0.43) | FYNDYRK1A | |
| SCHEMBL24520074 | 0.76 | CSNK1D (0.35) | CHEK1PIK3CAATRMETTGFBR1 |
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-3052501-B1 | BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF | AGENCY SCIENCE TECH & RES (SG) | 2022-06-22 | — | — | EP | disclosed |