Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL1447691 | 0.84 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL3898136 | 0.82 | ALDH1A1 (0.39) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL28149407 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL16241049 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL7937770 | 0.78 | LMNA (0.46) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL9796321 | 0.78 | — | — | |
| SCHEMBL3891552 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL31333169 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL20962107 | 0.77 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL936358 | 0.77 | ALDH1A1 (0.68) | ALDH1A1TDP1CYP3A4TSHRCA2 |
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-107619384-A | Benzheterocyclic derivatives, its preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2018-01-23 | — | — | CN | disclosed |