Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TLR2 | O60603 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9694621 | 0.84 | CA1 (0.43) | POLBHTTNPSR1L3MBTL1CA1 | |
| SCHEMBL6557136 | 0.82 | POLB (0.41) | POLBHTTNPSR1L3MBTL1CA1 | |
| SCHEMBL28846739 | 0.82 | CA1 (0.42) | POLBHTTNPSR1L3MBTL1CA1 | |
| SCHEMBL27643692 | 0.80 | CYP2D6 (0.36) | L3MBTL1ALDH1A1 | |
| SCHEMBL27734034 | 0.80 | ALDH1A1 (0.47) | HTTL3MBTL1CA1CA2CA7 | |
| SCHEMBL27546835 | 0.80 | HTT (0.54) | HTTCA1CA2CA7CA9 | |
| SCHEMBL27492096 | 0.79 | CCNB2 (0.48) | L3MBTL1SMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL27549906 | 0.78 | ESR1 (0.41) | POLBNPSR1CHRM2CHRM1CHRM3 | |
| SCHEMBL27596217 | 0.76 | GABRA1 (0.38) | NPSR1L3MBTL1TSHR | |
| SCHEMBL169082 | 0.76 | CA1 (0.46) | POLBHTTNPSR1L3MBTL1CA1 |
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-105801571-A | Heterocyclic difluoromethylated oxirane compound and preparation method thereof | 上海大学 | 2016-07-27 | — | — | CN | disclosed |