Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.49 |
| ▸ | PTPRC | P08575 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29603405 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL45620 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL29603046 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL29603475 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL31396643 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL31396648 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL12469930 | 1.00 | PDK2 (0.49) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL19172857 | 0.98 | PTPRC (0.48) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL19530896 | 0.98 | PTPRC (0.48) | PDK2PTPRCKDM4EMEN1LMNA | |
| SCHEMBL19164436 | 0.98 | PTPRC (0.48) | PDK2PTPRCKDM4EMEN1LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3172775-B1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2022-04-20 | — | — | EP | disclosed |
| EP-3904361-A2 | BORON CONTAINING COMPOUNDS | Merck Patent GmbH (DE) | 2021-11-03 | — | — | EP | disclosed |
| EP-3052505-B1 | BORON-CONTAINING COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-06-23 | — | — | EP | disclosed |
| US-20170222157-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2017-08-03 | — | — | US | disclosed |
| US-20170222157-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2017-08-03 | — | — | US | disclosed |
| US-20160248015-A1 | BORON-CONTAINING COMPOUNDS | MERCK PATENT GMBH (DE) | 2016-08-25 | — | — | US | disclosed |
| US-20160248015-A1 | BORON-CONTAINING COMPOUNDS | MERCK PATENT GMBH (DE) | 2016-08-25 | — | — | US | disclosed |
| WO-2016012075-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2016-01-28 | — | — | WO | disclosed |
| WO-2015049030-A2 | BORON-CONTAINING COMPOUNDS | MERCK PATENT GMBH (DE) | 2015-04-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20160248015-A1 | BORON-CONTAINING COMPOUNDS | BIRC2, BRSK1, CTCF | PDK2 2955/4885PTPRC 2033/4885KDM4E 2779/4885 |
| US-20170222157-A1 | MATERIALS FOR ELECTRONIC DEVICES | EYA3, EYA2, MITF | PDK2 1711/4885PTPRC 983/4885KDM4E 2680/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.