Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.46 |
| ▸ | CCR5 | P51681 | 2/20 | 0.46 |
| ▸ | CCR8 | P51685 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.39 |
| ▸ | P4HA1 | P13674 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL23018675 | 0.86 | NPC1 (0.38) | CCR1CCR5CCR8HDAC6NPC1 | |
| SCHEMBL12461122 | 0.78 | KMT2A (0.42) | CCR1CCR5CCR8HDAC6KDM4E | |
| SCHEMBL903922 | 0.77 | PTGS2 (0.39) | CCR1CCR5CCR8HDAC6KDM4E | |
| SCHEMBL21202766 | 0.77 | LDHA (0.48) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23018824 | 0.77 | KDM1A (0.49) | METAP2KDM4ENPC1ALDH1A1TP53 | |
| SCHEMBL12461453 | 0.76 | L3MBTL1 (0.46) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL903916 | 0.75 | — | — | |
| SCHEMBL22059836 | 0.72 | KIF11 (0.42) | KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL14069217 | 0.72 | KDM4E (0.53) | KDM4EALDH1A1HSD17B10L3MBTL1 | |
| SCHEMBL12461572 | 0.72 | SRC (0.39) | CCR1CCR5CCR8HDAC6ALDH1A1 |
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-3526227-B1 | BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2020-06-03 | — | — | EP | disclosed |
| WO-2018069196-A1 | BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2018-04-19 | — | — | WO | disclosed |