Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | FPR1 | P21462 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.40 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7138095 | 0.87 | ALDH1A1 (0.37) | ALDH1A1PTPN11MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL7700624 | 0.85 | HDAC2 (0.46) | ALDH1A1NPC1RAB9AMAPK8MAPK10 | |
| SCHEMBL7707281 | 0.85 | SMN1; SMN2 (0.45) | ALDH1A1MAPTKDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL7140985 | 0.73 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7143760 | 0.72 | HDAC2 (0.44) | ALDH1A1RAB9ALMNA | |
| SCHEMBL14336963 | 0.68 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL6611884 | 0.68 | HDAC1 (0.40) | MAPTKDM4ESMN1; SMN2L3MBTL1NPC1 | |
| SCHEMBL6608182 | 0.68 | TSHR (0.48) | ALDH1A1MAPTKDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL7141070 | 0.67 | PTPN11 (0.37) | ALDH1A1PTPN11MAPTKDM4ESMN1; SMN2 | |
| SCHEMBL23536222 | 0.66 | LGMN (0.58) | ALDH1A1PTPN11MAPTKDM4ESMN1; SMN2 |
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-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |