Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.65 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.54 |
| ▸ | POLB | P06746 | 4/20 | 0.54 |
| ▸ | CTSS | P25774 | 2/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSB | P07858 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | ACE | P12821 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | NPR3 | P17342 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10957814 | 0.89 | ITGA4 (0.54) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL14957280 | 0.88 | ITGA4 (0.65) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL14139327 | 0.88 | ITGA4 (0.52) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL13611703 | 0.88 | ITGA4 (0.52) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL31622755 | 0.87 | ITGA4 (0.51) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL10956602 | 0.86 | ITGA4 (0.62) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL6428127 | 0.86 | ITGA4 (0.62) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL7428724 | 0.85 | ITGA4 (0.59) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL7428720 | 0.85 | ITGA4 (0.59) | ITGA4ITGB7MAPTTDP1POLB | |
| SCHEMBL14732865 | 0.85 | ITGA4 (0.76) | ITGA4ITGB7MAPTTDP1POLB |
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-2023127869-A1 | METHOD FOR PRODUCING N-ALKYL AMINO ACID AND PEPTIDE INCLUDING N-ALKYL AMINO ACID | 中外製薬株式会社 | 2023-07-06 | — | — | WO | disclosed |