Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12186604 | 1.00 | GAA (0.43) | GAAHSD17B10ALDH1A1TSHRCYP2C9 | |
| SCHEMBL4856764 | 0.80 | — | — | |
| SCHEMBL8708390 | 0.76 | GAA (0.40) | GAAHSD17B10ADORA3ADORA2AADORA2B | |
| SCHEMBL3570893 | 0.76 | GAA (0.40) | GAAHSD17B10ADORA3ADORA2AADORA2B | |
| SCHEMBL10861909 | 0.73 | ADORA3 (0.36) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| Bromide SCHEMBL8403330 | 0.73 | GAA (0.39) | GAAHSD17B10KDM4EADORA3ADORA2A | |
| SCHEMBL20898826 | 0.72 | ALDH1A1 (0.42) | GAAHSD17B10ALDH1A1TSHRCYP2C9 | |
| SCHEMBL1456086 | 0.72 | KDM4E (0.43) | HSD17B10ALDH1A1TSHRCYP2C9CYP2C19 | |
| SCHEMBL8655557 | 0.72 | CYP2B6 (0.44) | GAAHSD17B10TSHRPKMRAB9A | |
| SCHEMBL399924 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110461151-A | Solvent type wood preservative composition | KOPPERS PERFORMANCE CHEMICALS INC | 2019-11-15 | — | — | CN | disclosed |
| CN-106265526-A | The solid dispersion of a kind of antifungal drug posaconazole and preparation method and application | 山东大学 | 2017-01-04 | — | — | CN | disclosed |