Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28329637 | 0.81 | BBOX1 (0.40) | ALDH1A1TSHRCES2CES1 | |
| SCHEMBL28329633 | 0.80 | PTGS2 (0.40) | NPC1RAB9AKCNK3 | |
| SCHEMBL28328449 | 0.77 | CES2 (0.44) | NPC1RAB9AALDH1A1TSHRCYP1B1 | |
| SCHEMBL28329608 | 0.77 | TPMT (0.34) | ALDH1A1 | |
| SCHEMBL28328421 | 0.77 | KMT2A (0.38) | NPC1RAB9AALDH1A1CYP1B1PDPK1 | |
| SCHEMBL28329618 | 0.77 | CES2 (0.44) | TSHRMAOBTRPV6CYP1B1GRIN2B | |
| SCHEMBL28328363 | 0.76 | ACHE (0.36) | NPC1RAB9AALDH1A1 | |
| SCHEMBL28328373 | 0.72 | NPC1 (0.38) | NPC1RAB9AALDH1A1HPGDLMNA | |
| SCHEMBL28328383 | 0.71 | CES2 (0.47) | ALDH1A1TSHRMAOBCYP1B1GRIN2B | |
| SCHEMBL28329609 | 0.71 | MEN1 (0.40) | NPC1RAB9AALDH1A1CYP1B1CES2 |
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 |