Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EML4 | Q9HC35 | 1/20 | 0.48 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | WDR5 | P61964 | 2/20 | 0.40 |
| ▸ | FPR1 | P21462 | 1/20 | 0.39 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27959375 | 1.00 | EML4 (0.48) | EML4ALKHSD11B1CSF1RCDK4 | |
| SCHEMBL1749264 | 0.85 | FPR1 (0.48) | CSF1RCDK4CDK6WDR5FPR1 | |
| SCHEMBL1749267 | 0.85 | FPR1 (0.48) | CSF1RCDK4CDK6WDR5FPR1 | |
| SCHEMBL17135166 | 0.83 | EML4 (0.47) | EML4ALKHSD11B1TRPV1WDR5 | |
| SCHEMBL274575 | 0.83 | EML4 (0.47) | EML4ALKHSD11B1TRPV1WDR5 | |
| SCHEMBL3314851 | 0.78 | EML4 (0.51) | EML4ALKHSD11B1WDR5CYP2C9 | |
| SCHEMBL28027728 | 0.77 | S1PR1 (0.50) | CDK4CCNA2CDK2CCNA1PIM1 | |
| SCHEMBL1749702 | 0.76 | MCHR1 (0.55) | MCHR1HRH3 | |
| SCHEMBL282609 | 0.76 | HRH4 (0.39) | EML4ALKHSD11B1TRPV1WDR5 | |
| SCHEMBL13958468 | 0.75 | TP53 (0.56) | CSF1RCYP2C9CCNA2CDK2CCNA1 |
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-104797581-A | HETEROARYL ALKYNE COMPOUND AND APPLICATION THEREOF | NANJING SANHOME PHARMACEUTICAL CO LTD | 2015-07-22 | — | — | CN | disclosed |