Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27254682 | 0.93 | ALDH1A1 (0.37) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL27254674 | 0.91 | ALDH1A1 (0.35) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL11589419 | 0.90 | CYP3A4 (0.40) | ALDH1A1CYP3A4L3MBTL1TDP1TSHR | |
| SCHEMBL22366271 | 0.87 | ALDH1A1 (0.33) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL19333630 | 0.83 | LMNA (0.50) | LMNATSHR | |
| SCHEMBL25341506 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL11578114 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL17526831 | 0.79 | LMNA (0.46) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL17526797 | 0.79 | LMNA (0.46) | ALDH1A1CYP3A4L3MBTL1TDP1LMNA | |
| SCHEMBL498039 | 0.78 | — | — |
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-113201027-B | Metal complex and application thereof | 北京八亿时空液晶科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| CN-115724826-A | Heterocyclic compound and application thereof | 上海八亿时空先进材料有限公司 | 2023-03-03 | — | — | CN | disclosed |