Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | KIT | P10721 | 1/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | EML4 | Q9HC35 | 2/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | ERBB3 | P21860 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24662651 | 1.00 | EGFR (0.51) | EGFRNPC1ALDH1A1RAB9ACDK4 | |
| SCHEMBL27004238 | 0.90 | EGFR (0.44) | EGFRNPC1ALDH1A1RAB9AALK | |
| SCHEMBL29936795 | 0.86 | EGFR (0.50) | EGFRALDH1A1CDK4CDK2ALK | |
| SCHEMBL24663094 | 0.86 | EGFR (0.50) | EGFRALDH1A1CDK4CDK2ALK | |
| SCHEMBL24662609 | 0.84 | EGFR (0.74) | EGFRALKEML4ERBB3 | |
| SCHEMBL29936744 | 0.84 | EGFR (0.74) | EGFRALKEML4ERBB3 | |
| SCHEMBL24663098 | 0.76 | EGFR (0.84) | EGFRALKEML4ERBB3 | |
| SCHEMBL29936740 | 0.76 | EGFR (0.84) | EGFRALKEML4ERBB3 | |
| SCHEMBL27004241 | 0.74 | EGFR (0.71) | EGFRALKEML4IGF1RERBB3 | |
| SCHEMBL27004222 | 0.72 | EGFR (0.60) | EGFRALKEML4ERBB3 |
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-2022191664-A1 | NOVEL PYRIMIDINE DERIVATIVE SHOWING INHIBITION EFFECT ON GROWTH OF CANCER CELLS | 주식회사 온코빅스 | 2022-09-15 | — | — | WO | disclosed |