Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.33 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL457633 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL14041414 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL29733470 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL2344449 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL29733472 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL13572445 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL2367900 | 0.83 | CYP2A6 (0.46) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL164774 | 0.83 | CYP2A6 (0.50) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL1041559 | 0.80 | CYP2A6 (0.48) | CYP2A6DYRK1APTPRCPTPN6PTPN11 | |
| SCHEMBL14968853 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160197275-A1 | EMITTER HAVING A CONDENSED RING SYSTEM | MERCK PATENT GMBH (DE) | 2016-07-07 | — | — | US | disclosed |
| US-20160197275-A1 | EMITTER HAVING A CONDENSED RING SYSTEM | MERCK PATENT GMBH (DE) | 2016-07-07 | — | — | US | disclosed |