Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.49 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL30718028 | 0.84 | ALDH1A1 (0.47) | CHRNB2CHRNA4APPHIF1AADRB3 | |
| SCHEMBL5145686 | 0.84 | ALDH1A1 (0.47) | CHRNB2CHRNA4APPHIF1AADRB3 | |
| SCHEMBL30718027 | 0.84 | ALDH1A1 (0.47) | CHRNB2CHRNA4APPHIF1AADRB3 | |
| Resorcinol SCHEMBL26987638 | 0.82 | ALDH1A1 (0.45) | CHRNB2CHRNA4APPHIF1AADRB3 | |
| SCHEMBL22207428 | 0.82 | HIF1A (0.45) | CHRNB2CHRNA4APPHIF1AADRB3 | |
| SCHEMBL4568773 | 0.81 | KMT2A (0.49) | HIF1AADRB3 | |
| SCHEMBL17138148 | 0.81 | HIF1A (0.47) | HIF1ACYP3A4 | |
| SCHEMBL4569036 | 0.80 | APP (0.41) | APPHIF1A | |
| SCHEMBL2206785 | 0.80 | MAOB (0.53) | — | |
| SCHEMBL4568906 | 0.80 | MAPK1 (0.50) | HIF1A |
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-111763298-A | Nano modified high-molecular polymer protective material, preparation method and application thereof | 中国铁道科学研究院集团有限公司铁道建筑研究所 | 2020-10-13 | — | — | CN | disclosed |