Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.45 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 8/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10170480 | 0.93 | MCL1 (0.43) | MCL1MYCPTGER1NOTUMRXRA | |
| SCHEMBL10170476 | 0.92 | MCL1 (0.45) | MCL1MYCHSP90AA1HSP90AB1PTGER1 | |
| SCHEMBL10315951 | 0.91 | KDM4E (0.43) | MCL1MYCHSP90AA1HSP90AB1NOTUM | |
| SCHEMBL10170484 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1 | |
| SCHEMBL10170473 | 0.86 | NOTUM (0.41) | MCL1MYCHSP90AA1HSP90AB1PTGER1 | |
| SCHEMBL3305899 | 0.85 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL10170472 | 0.83 | KDM4E (0.43) | MYCHSP90AA1HSP90AB1NOTUMMAOB | |
| SCHEMBL10170483 | 0.83 | HSP90AA1 (0.52) | HSP90AA1HSP90AB1 | |
| SCHEMBL645182 | 0.82 | BRD4 (0.39) | PTGER1CYP1A2 | |
| SCHEMBL3305910 | 0.80 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2023922-B1 | TRIAZOLE DERIVATIVES II | MERCK PATENT GMBH (DE) | 2012-07-11 | — | — | EP | disclosed |
| WO-2007134678-A2 | TRIAZOLE DERIVATIVES II | MERCK PATENT GMBH (DE) | 2007-11-29 | — | — | WO | disclosed |