Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10490505 | 1.00 | KDM4E (0.43) | KDM4ELMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL28018744 | 1.00 | KDM4E (0.43) | KDM4ELMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL28018183 | 1.00 | KDM4E (0.43) | KDM4ELMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL28018743 | 1.00 | KDM4E (0.43) | KDM4ELMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL9244465 | 0.98 | KDM4E (0.41) | KDM4ELMNAHTTALDH1A1CYP1A2 | |
| SCHEMBL10490569 | 0.84 | HTR1A (0.55) | KDM4ELMNAALDH1A1HTR1ASLC6A4 | |
| SCHEMBL9247991 | 0.83 | HTR1A (0.56) | KDM4ELMNAALDH1A1HTR1ASLC6A4 | |
| SCHEMBL8486261 | 0.80 | CDC25A (0.51) | KDM4ELMNAALDH1A1CES1CDC25A | |
| SCHEMBL18309383 | 0.79 | HTT (0.34) | KDM4ELMNAHTTHTR1ASLC6A4 | |
| SCHEMBL9134742 | 0.79 | CYP2C9 (0.40) | LMNAHTTCYP2C19HTR1ASLC6A4 |
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-103657724-B | Keggin type vacancy polyacid and application thereof in catalytic synthesis of benzoxazole derivative | UNIV BEIJING CHEMICAL | 2015-05-13 | — | — | CN | claimed |
| CN-103657724-B | Keggin type vacancy polyacid and application thereof in catalytic synthesis of benzoxazole derivative | UNIV BEIJING CHEMICAL | 2015-05-13 | — | — | CN | disclosed |