Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9268 | 0.79 | ALDH1A1 (0.55) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL28029584 | 0.78 | ALDH1A1 (0.54) | ALDH1A1HTTTSHRHPGDL3MBTL1 | |
| SCHEMBL10518545 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL3359452 | 0.75 | ALDH1A1 (0.50) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL28421335 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL77922 | 0.75 | ALDH1A1 (0.62) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL7721097 | 0.74 | MAOB (0.51) | ALDH1A1HTTTSHRMAOBL3MBTL1 | |
| SCHEMBL8539483 | 0.74 | ALDH1A1 (0.56) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL28423385 | 0.73 | ALDH1A1 (0.45) | ALDH1A1HTTTSHRHPGDMAOB | |
| SCHEMBL6324823 | 0.73 | ALDH1A1 (0.51) | ALDH1A1HTTTSHRHPGDMAOB |
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-111423452-A | Rugoside intermediate, preparation method and application thereof | 江西青峰药业有限公司 | 2020-07-17 | — | — | CN | claimed |
| CN-111423452-A | Rugoside intermediate, preparation method and application thereof | 江西青峰药业有限公司 | 2020-07-17 | — | — | CN | disclosed |