Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.37 |
| ▸ | GPR3 | P46089 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28907992 | 1.00 | KIF11 (0.46) | KIF11PTGDR2BACE1METAP2CHRM1 | |
| SCHEMBL28294522 | 0.87 | KIF11 (0.46) | KIF11PTGDR2BACE1METAP2NPBWR1 | |
| SCHEMBL29669727 | 0.82 | ADORA2A (0.46) | KIF11ALDH1A1ADORA2AADORA1TSHR | |
| SCHEMBL21040615 | 0.81 | KIF11 (0.52) | KIF11BACE1ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL30595026 | 0.79 | KIF11 (0.36) | KIF11ADORA2AADORA1HPGDGPR3 | |
| SCHEMBL29125496 | 0.79 | KIF11 (0.36) | KIF11ADORA2AADORA1HPGDGPR3 | |
| SCHEMBL30954775 | 0.78 | ALDH1A1 (0.49) | KIF11ALDH1A1ADORA2AADORA1TSHR | |
| SCHEMBL29141880 | 0.78 | ALDH1A1 (0.39) | KIF11NPBWR1ALDH1A1TSHRRAB9A | |
| SCHEMBL28515294 | 0.77 | CYP3A4 (0.39) | BACE1METAP2ALDH1A1TSHRTOP1 | |
| SCHEMBL30023096 | 0.76 | KIF11 (0.58) | KIF11PTGDR2BACE1METAP2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114478627-B | Allylated monophosphine ligand and preparation method thereof | 湖北大学 | 2023-06-20 | — | — | CN | disclosed |
| CN-114478627-A | Allylation monophosphine ligand and preparation method thereof | 湖北大学 | 2022-05-13 | — | — | CN | disclosed |