Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329618 | 0.77 | CES2 (0.44) | CES2CES1TSHRPTGS2MAOB | |
| SCHEMBL28878385 | 0.77 | ALDH1A1 (0.36) | CES2CES1TSHRPTGS2MAOB | |
| SCHEMBL28328383 | 0.76 | CES2 (0.47) | CES2CES1TSHRLMNAPTGS2 | |
| SCHEMBL28328374 | 0.74 | CYP1A2 (0.38) | TSHRALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28878388 | 0.73 | CES2 (0.44) | CES2CES1TSHRLMNAPTGS2 | |
| SCHEMBL28329611 | 0.73 | ALDH1A1 (0.41) | CES2CES1LMNAALDH1A1L3MBTL1 | |
| SCHEMBL28329637 | 0.73 | BBOX1 (0.40) | CES2CES1TSHRPTGS2MTNR1A | |
| SCHEMBL28328367 | 0.70 | MAOB (0.41) | TSHRLMNAMAOBALDH1A1MEN1 | |
| SCHEMBL28328424 | 0.69 | ALOX5 (0.39) | — | |
| SCHEMBL28329613 | 0.69 | PARP1 (0.42) | MAOBALDH1A1MEN1KMT2AKCNK3 |
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 |