Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 10/20 | 0.50 |
| ▸ | CCNC | P24863 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | NCOA1 | Q15788 | 2/20 | 0.43 |
| ▸ | NCOA3 | Q9Y6Q9 | 2/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PRNP | P04156 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29133739 | 1.00 | HTT (0.50) | HTTCCNCCDK8LMNASMN1; SMN2 | |
| SCHEMBL29133752 | 0.87 | HTT (0.36) | HTTCCNCCDK8LMNASMN1; SMN2 | |
| SCHEMBL29133735 | 0.87 | HTT (0.36) | HTTCCNCCDK8LMNASMN1; SMN2 | |
| SCHEMBL29133728 | 0.82 | IRAK4 (0.48) | ALDH1A1MAPK1TSHRIRAK4MEN1 | |
| SCHEMBL29133774 | 0.80 | IRAK4 (0.47) | LMNAALDH1A1MAPK1IRAK4MEN1 | |
| SCHEMBL29133716 | 0.79 | IRAK4 (0.39) | ALDH1A1MAPK1TSHRIRAK4MEN1 | |
| SCHEMBL29133742 | 0.78 | IRAK4 (0.35) | ALDH1A1MAPK1TSHRIRAK4MEN1 | |
| SCHEMBL29133743 | 0.78 | PIK3CA (0.53) | ALDH1A1MTORMAPK1TSHRMEN1 | |
| SCHEMBL29133762 | 0.78 | EGFR (0.41) | — | |
| SCHEMBL29133779 | 0.78 | EGFR (0.41) | — |
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-117295716-A | Substituted aminobenzyl heteroaryl compounds as EGFR and/or PI3K inhibitors | 麦克尼斯迪克治疗有限公司 | 2023-12-26 | — | — | CN | disclosed |