Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 7/20 | 0.60 |
| ▸ | CCR8 | P51685 | 7/20 | 0.60 |
| ▸ | CCR5 | P51681 | 5/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21537320 | 0.88 | CCR1 (0.46) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| Phenanthroline SCHEMBL21518505 | 0.80 | CCR1 (0.93) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL21560752 | 0.80 | CCR1 (0.69) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL29989955 | 0.77 | CCR1 (0.67) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL371564 | 0.77 | CCR1 (1.00) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL19961979 | 0.76 | CCR1 (0.72) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| Water SCHEMBL30586101 | 0.75 | CCR1 (0.96) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL31020233 | 0.75 | CCR1 (0.96) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| Phenanthroline SCHEMBL20503157 | 0.75 | L3MBTL1 (0.79) | CCR1CCR8CCR5L3MBTL1HSP90AA1 | |
| SCHEMBL912010 | 0.72 | CCR1 (1.00) | CCR1CCR8CCR5L3MBTL1HSP90AA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2976347-B1 | METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE | MCFARLAND SHERRI ANN (US) | 2022-01-19 | — | — | EP | disclosed |