Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GPR3 | P46089 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.37 |
| ▸ | TOP2A | P11388 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3857012 | 0.71 | TSHR (0.48) | TSHRKEAP1NFE2L2SMN1; SMN2TDO2 | |
| SCHEMBL27727935 | 0.71 | KDM4E (0.59) | KDM4EGPR3ADORA3TLR7SMN1; SMN2 | |
| SCHEMBL17917460 | 0.71 | LMNA (0.48) | KDM4EGPR3ADORA3TLR7ERN1 | |
| Benzotriazole SCHEMBL29355833 | 0.69 | TSHR (1.00) | TSHRKDM4EGPR3KEAP1NFE2L2 | |
| Benzotriazole SCHEMBL171464 | 0.69 | — | — | |
| SCHEMBL1727666 | 0.69 | KDM4E (0.52) | KDM4EGPR3ADORA3TLR7PDPK1 | |
| SCHEMBL30951595 | 0.69 | KDM4E (0.52) | KDM4EGPR3ADORA3TLR7PDPK1 | |
| SCHEMBL2363194 | 0.68 | KDM4E (0.50) | TSHRKDM4EGPR3ADORA3TLR7 | |
| SCHEMBL253096 | 0.68 | GPR3 (0.50) | KDM4EGPR3PDPK1CA12PARP1 | |
| SCHEMBL30539895 | 0.68 | GPR3 (0.50) | KDM4EGPR3PDPK1CA12PARP1 |
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 |