Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | MET | P08581 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR1D | P28221 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.41 |
| ▸ | STAT1 | P42224 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24733480 | 1.00 | EGFR (0.45) | EGFRMETALDH1A1HPGDHRH4 | |
| SCHEMBL24732595 | 0.92 | EGFR (0.45) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL29809575 | 0.92 | EGFR (0.45) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL29809351 | 0.91 | EGFR (0.44) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL24732862 | 0.91 | EGFR (0.44) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL24733021 | 0.89 | LMNA (0.44) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL29809120 | 0.89 | LMNA (0.44) | EGFRALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL27213594 | 0.85 | MET (0.46) | EGFRMETALDH1A1MAPTKDM4E | |
| SCHEMBL24733474 | 0.84 | MC4R (0.46) | ALDH1A1HPGDHRH4MAPTKDM4E | |
| SCHEMBL29977645 | 0.84 | MC4R (0.46) | ALDH1A1HPGDHRH4MAPTKDM4E |
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 |