Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.35 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.35 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL28328383 | 0.94 | CES2 (0.47) | CES2CES1PTGS2MAOBTSHR | |
| SCHEMBL28878388 | 0.92 | CES2 (0.44) | CES2CES1PTGS2MAOBTSHR | |
| SCHEMBL28329637 | 0.86 | BBOX1 (0.40) | CES2CES1PTGS2TSHRCYP1A2 | |
| SCHEMBL28328377 | 0.84 | CES2 (0.44) | CES2CES1PTGS2MAOBCYP1B1 | |
| SCHEMBL28328368 | 0.84 | CES2 (0.38) | CES2CES1PTGS2TSHRCYP1B1 | |
| SCHEMBL28329613 | 0.84 | PARP1 (0.42) | MAOBGRIN2BALOX15MAPT | |
| SCHEMBL28328367 | 0.81 | MAOB (0.41) | MAOBTSHRGRIN2BMAPT | |
| SCHEMBL28329633 | 0.81 | PTGS2 (0.40) | PTGS2 | |
| SCHEMBL28328449 | 0.81 | CES2 (0.44) | CES2CES1PTGS2TSHRCYP1A2 | |
| SCHEMBL28329608 | 0.81 | TPMT (0.34) | CYP1A2L3MBTL1 |
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-110452145-B | Synthetic method of alpha, beta-unsaturated selenium compound | 温州大学 | 2021-04-13 | — | — | CN | disclosed |
| CN-110452145-A | α, β-unsaturation selenium class compound synthetic method | UNIV WENZHOU | 2019-11-15 | — | — | CN | disclosed |