Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.72 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9956377 | 0.85 | CYP2A6 (1.00) | CYP2A6RAB9APIM1NPC1MAPT | |
| SCHEMBL29502957 | 0.85 | CYP2A6 (1.00) | CYP2A6RAB9APIM1NPC1MAPT | |
| SCHEMBL91009 | 0.85 | CYP2A6 (1.00) | CYP2A6RAB9APIM1NPC1MAPT | |
| Acetaldehyde SCHEMBL6272809 | 0.80 | CYP2A6 (0.89) | CYP2A6RAB9APIM1NPC1MAPT | |
| Benzofuran SCHEMBL5030477 | 0.74 | CYP2A6 (0.77) | CYP2A6RAB9APIM1NPC1MAPT | |
| SCHEMBL8038562 | 0.71 | CYP2A6 (0.67) | CYP2A6RAB9APIM1NPC1MAPT | |
| SCHEMBL8038555 | 0.71 | CYP2A6 (0.67) | CYP2A6RAB9APIM1NPC1MAPT | |
| SCHEMBL6294475 | 0.68 | RAB9A (0.62) | CYP2A6RAB9ANPC1MAPTMAPK1 | |
| SCHEMBL6294474 | 0.68 | RAB9A (0.62) | CYP2A6RAB9ANPC1MAPTMAPK1 | |
| SCHEMBL27757855 | 0.67 | CYP2A6 (0.62) | CYP2A6RAB9APIM1NPC1MAPT |
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-111848930-B | Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran | 清华大学 | 2021-07-13 | — | — | CN | disclosed |
| CN-111848930-A | Soluble polybenzfuran, preparation method thereof and application thereof in synthesizing 5-substituted benzofuran | 清华大学 | 2020-10-30 | — | — | CN | disclosed |