Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.47 |
| ▸ | CCR4 | P51679 | 1/20 | 0.47 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL250545 | 0.82 | CCR4 (0.56) | SMN1; SMN2KMT2AMEN1CCR4 | |
| SCHEMBL4740564 | 0.76 | SMN1; SMN2 (0.56) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL7571186 | 0.72 | ALDH1A1 (1.00) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL186310 | 0.70 | CCR4 (0.73) | ALDH1A1CCR4 | |
| SCHEMBL6180658 | 0.70 | CCR4 (0.69) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL186060 | 0.69 | CCR4 (0.75) | CCR4 | |
| SCHEMBL6180252 | 0.68 | CCR4 (0.66) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL15009538 | 0.68 | ALDH1A1 (0.63) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL4682088 | 0.67 | KDM4E (0.67) | ALDH1A1TP53KDM4ESMN1; SMN2POLB | |
| SCHEMBL186026 | 0.66 | TTK (0.60) | ALDH1A1KDM4EPOLBKMT2AMAPT |
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-2401270-A1 | PYRAZOLE DERIVATIVES USED AS CCR4 RECEPTOR ANTAGONISTS | Glaxo Group Limited (GB) | 2012-01-04 | — | — | EP | disclosed |