Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | BCR | P11274 | 1/20 | 0.34 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.34 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.34 |
| ▸ | GRIK3 | Q13003 | 1/20 | 0.34 |
| ▸ | GRIK4 | Q16099 | 1/20 | 0.34 |
| ▸ | GRIK5 | Q16478 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3065487 | 0.71 | ESR1 (0.40) | PDPK1 | |
| SCHEMBL446875 | 0.70 | — | — | |
| SCHEMBL28193727 | 0.70 | PDPK1 (0.34) | ALDH1A1PDPK1LOXL2ADORA1HSP90AA1 | |
| SCHEMBL27608927 | 0.69 | PDPK1 (0.39) | ALDH1A1PDPK1LOXL2ADORA1HSP90AA1 | |
| SCHEMBL12320187 | 0.69 | ADORA2A (0.43) | PDPK1LOXL2ADORA1HSP90AA1HPGD | |
| SCHEMBL10668273 | 0.69 | ESR1 (0.51) | PARP1ALDH1A1HDAC4 | |
| Hydrochloric Acid SCHEMBL16433303 | 0.69 | PARP1 (0.42) | PARP1ALDH1A1CYP3A4TSHRNOS1 | |
| SCHEMBL3055990 | 0.67 | AGTR2 (0.43) | ALDH1A1HSP90AA1ECE1 | |
| SCHEMBL28750902 | 0.67 | AGTR2 (0.39) | ALDH1A1HSP90AA1ECE1 | |
| SCHEMBL12276988 | 0.67 | HPGD (0.38) | PDPK1LOXL2ADORA1HSP90AA1HPGD |
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-3892272-B1 | BIFUNCTIONAL MOLECULES FOR DEGRADATION OF EGFR AND METHODS OF USE | DANA FARBER CANCER INST INC (US) | 2024-07-24 | — | — | EP | disclosed |