Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | STAT1 | P42224 | 1/20 | 0.53 |
| ▸ | PTGER3 | P43115 | 6/20 | 0.53 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.51 |
| ▸ | PTGER4 | P35408 | 4/20 | 0.51 |
| ▸ | PTGER2 | P43116 | 4/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28634282 | 0.79 | PTGER3 (0.51) | PTGER3PTGER1PTGER4PTGER2ALDH1A1 | |
| SCHEMBL14417207 | 0.76 | CYP2D6 (0.55) | NPC1ALDH1A1PKMKMT2ATSHR | |
| SCHEMBL25518055 | 0.75 | CYP2D6 (0.50) | RAB9APTGER3PTGER1PTGER4PTGER2 | |
| SCHEMBL8692307 | 0.74 | CYP2D6 (0.56) | PTGER3PTGER1PTGER4PTGER2ALDH1A1 | |
| SCHEMBL8853840 | 0.73 | CYP2D6 (0.51) | PTGER3PTGER1PTGER4PTGER2HDAC1 | |
| SCHEMBL28683479 | 0.72 | MEN1 (0.51) | RAB9APTGER3PTGER1PTGER4PTGER2 | |
| SCHEMBL4660476 | 0.72 | CYP2C9 (0.54) | PTGER3PTGER1PTGER4PTGER2ALDH1A1 | |
| SCHEMBL6421622 | 0.71 | PTGER3 (0.57) | PTGER3PTGER1PTGER4PTGER2ALDH1A1 | |
| SCHEMBL30116901 | 0.71 | FBP1 (0.50) | NPC1RAB9AHDAC1 | |
| SCHEMBL25518523 | 0.70 | CYP2D6 (0.51) | NPC1ALDH1A1PKMKMT2ATSHR |
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-115583961-A | Synthetic method of alpha-quaternary carbon beta-silicon-based amide | 安阳师范学院 | 2023-01-10 | — | — | CN | disclosed |