Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27737509 | 0.78 | CD44 (0.33) | ALDH1A1CYP3A4 | |
| SCHEMBL1172198 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHR | |
| SCHEMBL27443748 | 0.73 | ALDH1A1 (0.35) | ALDH1A1TDP1CYP3A4TSHRPOLB | |
| SCHEMBL27576407 | 0.73 | PMM2 (0.41) | ALDH1A1TDP1CYP3A4TSHRPOLB | |
| SCHEMBL27716615 | 0.72 | TDP1 (0.45) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL27716709 | 0.70 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL27779938 | 0.67 | HTR3E (0.48) | ALDH1A1TDP1CYP3A4KDM4E | |
| SCHEMBL28662847 | 0.64 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRPOLBKDM4E | |
| SCHEMBL5609447 | 0.64 | ALDH1A1 (0.58) | ALDH1A1TDP1TP53CYP3A4TSHR | |
| SCHEMBL8990517 | 0.64 | TDP1 (0.42) | ALDH1A1TDP1CYP3A4 |
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-109715728-B | Adducts and uses thereof | 亨斯迈先进材料美国有限责任公司 | 2021-11-30 | — | — | CN | disclosed |