Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6648324 | 0.82 | MC4R (0.41) | HSP90AA1KMT2AMEN1OPRK1MC4R | |
| SCHEMBL6649403 | 0.82 | KMT2A (0.39) | HSP90AA1KMT2AMEN1OPRK1MC4R | |
| SCHEMBL6651254 | 0.79 | KMT2A (0.42) | KMT2AMEN1OPRK1MC4RDRD4 | |
| SCHEMBL5610858 | 0.75 | ESR1 (0.40) | HSP90AA1HSP90B1SMN1; SMN2 | |
| SCHEMBL9751984 | 0.74 | HSP90AA1 (0.74) | HSP90AA1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6672746 | 0.73 | DRD4 (0.39) | DRD4LMNAALDH1A1 | |
| SCHEMBL6648592 | 0.73 | HSP90AA1 (0.46) | HSP90AA1KMT2ADRD4ALDH1A1L3MBTL1 | |
| 2-Chlorophenol SCHEMBL28039161 | 0.73 | KMT2A (0.46) | HSP90AA1KMT2AMEN1OPRK1MC4R | |
| SCHEMBL6651515 | 0.73 | KMT2A (0.48) | HSP90AA1KMT2AMEN1OPRK1POLB | |
| SCHEMBL6650011 | 0.72 | DRD4 (0.40) | DRD4LMNA |
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-1103243-B1 | UTILIZATION OF ARYL(OR HETEROARYL)AZOLYLCARBINOL DERIVATIVES FOR THE TREATMENT OF TROUBLES MEDIATED BY AN EXCESS OF SUBSTANCE P | ESTEVE LABOR DR (ES) | 2004-01-07 | — | — | EP | claimed |