Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | HLCS | P50747 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 3/20 | 0.38 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | GUSB | P08236 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2734736 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL2204763 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL8532189 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL11388793 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL2326236 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL8537115 | 0.97 | ALDH1A1 (0.46) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL2108191 | 0.95 | — | — | |
| SCHEMBL182402 | 0.87 | — | — | |
| SCHEMBL8121418 | 0.84 | CYP1A2 (0.39) | ALDH1A1S1PR3EPHX1HLCSTSHR | |
| SCHEMBL2579275 | 0.82 | ALDH1A1 (0.39) | ALDH1A1S1PR3EPHX1HLCSTSHR |
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-109790013-A | The solution of two chalcogenide nanoparticle of stratiform transition metal is combined to | 纳米2D材料有限公司 | 2019-05-21 | — | — | CN | disclosed |