Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL24732902 | 1.00 | PDE5A (0.48) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL29809087 | 0.86 | PDE5A (0.52) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL24733042 | 0.86 | PDE5A (0.52) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL212307 | 0.84 | EGFR (0.60) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL29977477 | 0.83 | KMT2A (0.46) | PDE5AKMT2AMEN1POLBMAPT | |
| SCHEMBL24733039 | 0.83 | KMT2A (0.46) | PDE5AKMT2AMEN1POLBMAPT | |
| SCHEMBL24732877 | 0.82 | EGFR (0.49) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL29809463 | 0.82 | EGFR (0.49) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL211900 | 0.82 | EGFR (0.48) | PDE5AKMT2AALDH1A1MEN1POLB | |
| SCHEMBL211899 | 0.82 | EGFR (0.48) | PDE5AKMT2AALDH1A1MEN1POLB |
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 |