Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.73 |
| ▸ | TSHR | P16473 | 1/20 | 0.73 |
| ▸ | GBA1 | P04062 | 1/20 | 0.65 |
| ▸ | CA9 | Q16790 | 5/20 | 0.54 |
| ▸ | CA2 | P00918 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8192042 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL8202657 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL8199866 | 0.84 | ALDH1A1 (1.00) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL7862567 | 0.81 | GBA1 (0.74) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL10692687 | 0.81 | CA2 (0.62) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL10332270 | 0.81 | ALDH1A1 (0.67) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL9485564 | 0.80 | ALDH1A1 (0.65) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL28686588 | 0.80 | GBA1 (0.67) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL29543465 | 0.80 | GBA1 (0.72) | ALDH1A1TSHRGBA1CA9CA2 | |
| SCHEMBL17206014 | 0.80 | GBA1 (0.67) | ALDH1A1TSHRGBA1CA9CA2 |
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-113549025-A | Preparation method of 1,4,7, 10-tetraazacyclododecane-1, 4, 7-triacetic acid and sodium salt thereof | 江苏美迪克化学品有限公司 | 2021-10-26 | — | — | CN | disclosed |