Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GALK1 | P51570 | 1/20 | 0.41 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL23956300 | 1.00 | PDK2 (0.46) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL19831173 | 0.98 | PDK2 (0.47) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL22914977 | 0.92 | PDK2 (0.45) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL25070279 | 0.90 | TGFBR1 (0.49) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL19833337 | 0.90 | CCR1 (0.45) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL23956272 | 0.88 | CYP3A4 (0.43) | PDK2GRM5TGFBR1CYP2A6KDM4E | |
| SCHEMBL21290404 | 0.87 | FFAR1 (0.43) | PDK2GRM5TGFBR1L3MBTL1HTT | |
| SCHEMBL21290071 | 0.87 | FFAR1 (0.43) | PDK2GRM5TGFBR1L3MBTL1HTT | |
| SCHEMBL19794394 | 0.87 | KDM4E (0.52) | PDK2GRM5TGFBR1LMNAMAPT | |
| SCHEMBL23956257 | 0.86 | PDK2 (0.42) | PDK2GRM5TGFBR1CYP2A6KDR |
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-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2021013775-A1 | METHOD FOR PRODUCING ORTHO-METALLATED METAL COMPOUNDS | MERCK PATENT GMBH (DE) | 2021-01-28 | — | — | WO | disclosed |