Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 1/20 | 0.46 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL320511 | 0.98 | CYP3A4 (0.52) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL28073121 | 0.96 | CYP3A4 (0.50) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Methane SCHEMBL27756372 | 0.96 | CYP3A4 (0.50) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Resorcinol SCHEMBL1715185 | 0.96 | CYP3A4 (0.50) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| SCHEMBL4463825 | 0.96 | CYP3A4 (0.50) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Charcoal, Activated SCHEMBL3483629 | 0.96 | CYP3A4 (0.50) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Hydroquinone SCHEMBL3753752 | 0.94 | CYP3A4 (0.48) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Phloroglucinol SCHEMBL3750659 | 0.94 | CYP3A4 (0.48) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Formaldehyde SCHEMBL27660378 | 0.94 | CYP3A4 (0.48) | CYP3A4CCNB2CDK1CDK4CCNB1 | |
| Phenol SCHEMBL454730 | 0.92 | CYP3A4 (0.47) | CYP3A4CCNB2CDK1CDK4CCNB1 |
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-110112377-A | The complex carbon material of electrochemical modification agent comprising lithium alloyage | 14族科技公司 | 2019-08-09 | — | — | CN | disclosed |
| CN-105190948-B | Composite carbon material comprising lithium alloyed electrochemical modifier | 14族科技公司 | 2019-04-26 | — | — | CN | disclosed |