Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.35 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | HTR2B | P41595 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6423969 | 0.84 | GABRA1 (0.41) | GAAGABRA1GABRB2POLBCYP3A4 | |
| SCHEMBL3262914 | 0.81 | GABRA1 (0.40) | GAAGABRA1GABRB2POLBCYP3A4 | |
| SCHEMBL4591472 | 0.78 | GAA (0.40) | GAACD44CYP3A4TSHR | |
| SCHEMBL21546530 | 0.75 | PTGDR (0.47) | GABRA1GABRB2PTGDRPTGDR2POLB | |
| SCHEMBL20819282 | 0.72 | CYP3A4 (0.48) | GAAGABRA1GABRB2PTGDRPTGDR2 | |
| SCHEMBL11196023 | 0.72 | GABRA1 (0.32) | GABRA1GABRB2HTR2CHTR2BPOLB | |
| SCHEMBL27895858 | 0.72 | GAA (0.48) | GAACD44CYP3A4TSHR | |
| SCHEMBL11766536 | 0.72 | GABRA1 (0.40) | GAAGABRA1GABRB2PTGDRPTGDR2 | |
| SCHEMBL1772134 | 0.71 | GABRA1 (0.41) | GAAGABRA1GABRB2POLBCYP3A4 | |
| SCHEMBL4633136 | 0.71 | GABRA1 (0.36) | GAAGABRA1GABRB2PTGDRPTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3578176-A1 | NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY | Lu, Qing-Bin (CA) | 2019-12-11 | — | — | EP | disclosed |
| EP-3055287-B1 | NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY | LU QING BIN (CA) | 2019-11-06 | — | — | EP | disclosed |