Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL938260 | 0.75 | PTPN1 (0.30) | — | |
| SCHEMBL2806688 | 0.74 | PTPN1 (0.35) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL2810137 | 0.74 | CYP1A1 (0.34) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL2806548 | 0.74 | CYP1A1 (0.34) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL16566706 | 0.74 | CYP1A1 (0.34) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL211753 | 0.73 | CYP1A1 (0.46) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL9128254 | 0.70 | VCAM1 (0.37) | — | |
| SCHEMBL2888713 | 0.69 | CYP1A1 (0.31) | CYP1A1CYP1B1HDAC8 | |
| SCHEMBL29029260 | 0.69 | CYP1A1 (0.31) | CYP1A1CYP1B1 | |
| SCHEMBL28522318 | 0.69 | PDE2A (0.31) | CYP1A1CYP1B1HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109762085-A | A kind of poly- aryne nanometer sheet of Novel compressive and preparation method thereof | 中国科学院合肥物质科学研究院 | 2019-05-17 | — | — | CN | claimed |
| CN-109762085-A | A kind of poly- aryne nanometer sheet of Novel compressive and preparation method thereof | 中国科学院合肥物质科学研究院 | 2019-05-17 | — | — | CN | disclosed |
| US-6795230-B1 | Self-assembled molecular color switch | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2004-09-21 | — | — | US | disclosed |