Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.49 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24732877 | 1.00 | EGFR (0.49) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL212307 | 0.86 | EGFR (0.60) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL212372 | 0.85 | EGFR (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL211899 | 0.85 | EGFR (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL211900 | 0.85 | EGFR (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL29808981 | 0.84 | EGFR (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL24733036 | 0.84 | EGFR (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL24732902 | 0.82 | PDE5A (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL29809088 | 0.82 | PDE5A (0.48) | EGFRPDE5AALDH1A1HPGDKMT2A | |
| SCHEMBL30947352 | 0.82 | APP (0.47) | PDE5AKMT2APOLBRAD52APP |
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 |
|---|---|---|---|---|---|---|---|
| CN-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |