Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NRAS | P01111 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17310080 | 0.74 | ALDH1A1 (0.55) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL17310187 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL6683146 | 0.71 | HRH3 (0.42) | — | |
| SCHEMBL1516573 | 0.69 | ALDH1A1 (0.67) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL5410238 | 0.68 | TSHR (0.52) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL3337028 | 0.68 | TSHR (0.56) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL2713435 | 0.67 | — | — | |
| SCHEMBL3577214 | 0.67 | TSHR (0.55) | ALDH1A1TSHR | |
| SCHEMBL13024353 | 0.66 | TSHR (0.75) | ALDH1A1MAPTHTTPOLBTSHR | |
| SCHEMBL31539648 | 0.66 | ALDH1A1 (0.59) | ALDH1A1MAPTHTTPOLBTSHR |
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-104968654-A | Substituted 2-aminopyridine protein kinase inhibitor | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD | 2015-10-07 | — | — | CN | disclosed |