Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRB2 | P62993 | 1/20 | 0.53 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.49 |
| ▸ | SLC7A5 | Q01650 | 3/20 | 0.45 |
| ▸ | DPP4 | P27487 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.43 |
| ▸ | TPH1 | P17752 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL25309824 | 1.00 | GRB2 (0.53) | GRB2PTPN1SLC7A5DPP4PTGS1 | |
| SCHEMBL290031 | 0.90 | DPP4 (0.51) | GRB2SLC7A5DPP4PTGS1ALPI | |
| SCHEMBL12028956 | 0.90 | DPP4 (0.51) | GRB2SLC7A5DPP4PTGS1ALPI | |
| SCHEMBL290032 | 0.90 | DPP4 (0.51) | GRB2SLC7A5DPP4PTGS1ALPI | |
| Trifluoroacetic Acid SCHEMBL5302813 | 0.85 | SLC7A5 (0.64) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| Trifluoroacetic Acid SCHEMBL5987000 | 0.85 | SLC7A5 (0.64) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| Phenylalanine Amide SCHEMBL3215074 | 0.85 | ALPI (0.61) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| Phenylalanine Amide SCHEMBL3215067 | 0.85 | ALPI (0.61) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| Phenylalanine Amide SCHEMBL18241823 | 0.83 | ALPI (0.59) | GRB2PTPN1SLC7A5PTGS1ALPI | |
| Iodofalan SCHEMBL44620 | 0.79 | SLC7A5 (0.69) | GRB2PTPN1SLC7A5PTGS1ALPI |
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-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |