Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.59 |
| ▸ | CES1 | P23141 | 3/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.52 |
| ▸ | CHRNG | P07510 | 1/20 | 0.52 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.52 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.52 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.52 |
| ▸ | CHRND | Q07001 | 1/20 | 0.52 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10353521 | 1.00 | CES2 (0.59) | CES2CES1PARP1L3MBTL1SLC6A2 | |
| Carbamic Acid SCHEMBL4383137 | 0.94 | PARP1 (0.58) | CES2CES1PARP1L3MBTL1SLC6A2 | |
| SCHEMBL6203480 | 0.92 | CES2 (0.61) | CES2CES1PARP1SLC6A2SLC6A3 | |
| SCHEMBL8622126 | 0.92 | CES2 (0.61) | CES2CES1PARP1L3MBTL1SLC6A2 | |
| Acrylic Acid SCHEMBL10353074 | 0.90 | CES2 (0.49) | CES2CES1PARP1L3MBTL1SLC6A2 | |
| SCHEMBL24054956 | 0.85 | CES2 (0.54) | CES2CES1L3MBTL1NPC1RAB9A | |
| Acrylic Acid SCHEMBL10353516 | 0.84 | CES2 (0.51) | CES2CES1L3MBTL1SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL11490909 | 0.84 | CES2 (0.51) | CES2CES1PARP1SLC6A2SLC6A3 | |
| Hydrochloric Acid SCHEMBL11477034 | 0.83 | ALDH1A1 (0.55) | CES2CES1RAB9AMEN1KMT2A | |
| SCHEMBL1164163 | 0.83 | CES2 (0.67) | CES2CES1PARP1SLC6A2SLC6A3 |
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-110452148-B | Method for synthesizing polysubstituted pyrrole compound by utilizing alpha-hydroxy ketone, malononitrile and alcohol | 华南理工大学 | 2023-02-14 | — | — | CN | disclosed |