Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CES2 | O00748 | 4/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
| ▸ | CES1 | P23141 | 4/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27648818 | 0.83 | GLO1 (0.47) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL5644945 | 0.83 | GLO1 (0.47) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL23608442 | 0.82 | NPSR1 (0.41) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL27926788 | 0.82 | NPSR1 (0.41) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL23608441 | 0.82 | NPSR1 (0.41) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL27576280 | 0.80 | NPSR1 (0.39) | NPSR1GLO1ALDH1A1CES2ACHE | |
| SCHEMBL6244894 | 0.79 | TSHR (0.44) | ALDH1A1SMN1; SMN2TSHRGAA | |
| SCHEMBL28397746 | 0.78 | TSHR (0.36) | TSHR | |
| SCHEMBL8828773 | 0.78 | GLO1 (0.45) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 | |
| SCHEMBL3230569 | 0.78 | GLO1 (0.45) | NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2 |
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-105481748-B | Polysubstituted dihydro pyrrole derivates of 5- fluorine and preparation method thereof | 华东师范大学 | 2018-05-15 | — | — | CN | disclosed |
| CN-104592181-B | 2-fluorine polysubstituted 4H-pyran derivate and preparation method thereof | 华东师范大学 | 2016-08-24 | — | — | CN | disclosed |