Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1769074 | 0.80 | ALDH1A1 (0.31) | ALDH1A1TDP1CYP3A4TSHRLMNA | |
| SCHEMBL27160388 | 0.79 | TDP1 (0.40) | ALDH1A1TDP1TSHR | |
| SCHEMBL3964300 | 0.78 | LMNA (0.42) | TDP1CYP3A4LMNA | |
| SCHEMBL25783377 | 0.77 | PLA2G1B (0.31) | — | |
| SCHEMBL25831757 | 0.76 | LMNA (0.40) | TDP1CYP3A4LMNA | |
| SCHEMBL14720646 | 0.76 | OPRM1 (0.32) | — | |
| SCHEMBL1836223 | 0.76 | TDP1 (0.43) | TDP1TSHR | |
| SCHEMBL1834842 | 0.76 | TDP1 (0.43) | TDP1TSHR | |
| SCHEMBL7863984 | 0.76 | TDP1 (0.43) | TDP1TSHR | |
| SCHEMBL25312922 | 0.76 | FFAR1 (0.30) | TDP1 |
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-113227061-A | Novel salts and polymorphs of bipedac acid | 印度鲁宾有限公司 | 2021-08-06 | — | — | CN | disclosed |