Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | USP9X | Q93008 | 2/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21397183 | 0.76 | ALDH1A1 (0.44) | ALDH1A1HSD17B10GAAMAPTADRA1D | |
| Hydrochloric Acid SCHEMBL21381361 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HSD17B10GAAMAPTADRA1D | |
| SCHEMBL28445705 | 0.73 | ADRA1D (0.51) | ALDH1A1HSD17B10GAAMAPTADRA1D | |
| Hydrochloric Acid SCHEMBL28452475 | 0.72 | ALDH1A1 (0.47) | ALDH1A1HSD17B10GAAMAPTHDAC11 | |
| SCHEMBL2124387 | 0.69 | MAPT (0.53) | ALDH1A1HSD17B10GAAMAPTMEN1 | |
| SCHEMBL5727630 | 0.64 | MAPT (0.49) | ALDH1A1HSD17B10GAAMAPTMEN1 | |
| SCHEMBL23904365 | 0.62 | ALDH1A1 (0.58) | ALDH1A1HSD17B10GAAMAPTUSP9X | |
| SCHEMBL31575080 | 0.62 | ALDH1A1 (0.54) | ALDH1A1HSD17B10GAAMAPTUSP9X | |
| SCHEMBL31575081 | 0.62 | ALDH1A1 (0.54) | ALDH1A1HSD17B10GAAMAPTUSP9X | |
| Hydrochloric Acid SCHEMBL28869973 | 0.61 | ALDH1A1 (0.53) | ALDH1A1HSD17B10GAAMAPTUSP9X |
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-111630048-A | Amidine and guanidine derivatives, preparation method and application thereof in medicines | 四川科伦博泰生物医药股份有限公司 | 2020-09-04 | — | — | CN | disclosed |