Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 8/20 | 0.63 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TNF | P01375 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.53 |
| ▸ | FBP1 | P09467 | 1/20 | 0.53 |
| ▸ | RET | P07949 | 4/20 | 0.53 |
| ▸ | KDR | P35968 | 4/20 | 0.53 |
| ▸ | KIF5B | P33176 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30820443 | 1.00 | EGFR (0.63) | EGFRABCG2ALDH1A1MAPTHTT | |
| SCHEMBL30820490 | 0.90 | EGFR (0.76) | EGFRABCG2ALDH1A1MAPTHTT | |
| SCHEMBL30820491 | 0.88 | EGFR (0.63) | EGFRABCG2ALDH1A1MAPTHTT | |
| SCHEMBL30820511 | 0.84 | EGFR (0.64) | EGFRABCG2ALDH1A1MAPTHTT | |
| SCHEMBL30820517 | 0.84 | EGFR (0.64) | EGFRABCG2FBP1RETKDR | |
| SCHEMBL17940088 | 0.77 | EGFR (1.00) | EGFRABCG2MAPTMAPK1FBP1 | |
| SCHEMBL20637508 | 0.77 | EGFR (0.58) | EGFRABCG2ALDH1A1MAPTHTT | |
| SCHEMBL4728689 | 0.75 | PDE5A (0.55) | EGFRALDH1A1HTTMEN1MAPK1 | |
| SCHEMBL30820401 | 0.75 | NPC1 (0.70) | EGFRABCG2ALDH1A1MAPTMAPK1 | |
| SCHEMBL30820457 | 0.75 | EGFR (0.73) | EGFRABCG2MAPTMAPK1FBP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117693505-A | Heteroaryl derivative compounds and uses thereof | 沃若诺伊公司 | 2024-03-12 | — | — | CN | disclosed |