Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9615427 | 0.87 | MAPT (0.41) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL28064773 | 0.83 | TSHR (0.46) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL9445038 | 0.82 | MAPT (0.35) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL481575 | 0.79 | MAPT (0.40) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL11857468 | 0.78 | TSHR (0.42) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL9315210 | 0.77 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL5322687 | 0.77 | TSHR (0.41) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL20924844 | 0.77 | TSHR (0.41) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL18633267 | 0.75 | TSHR (0.47) | TSHRMAPTCACNA1BAPBA1CYP3A4 | |
| SCHEMBL8985405 | 0.75 | TSHR (0.40) | TSHRMAPTCACNA1BAPBA1CYP3A4 |
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-105968025-A | Preparation method for 3-(methylbenzylamino)-2-(2,3,4,5-tetrafluorobenzoyl)ethyl acrylate | 河北科技大学 | 2016-09-28 | — | — | CN | disclosed |