Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | EP300 | Q09472 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7139585 | 0.90 | MMP8 (0.35) | HCAR3HDAC3HDAC1HDAC2ALDH1A1 | |
| SCHEMBL7700574 | 0.87 | ALDH1A1 (0.38) | HCAR3ALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL7698563 | 0.82 | HCAR3 (0.40) | HCAR3ALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL7139514 | 0.77 | CHRM3 (0.35) | HCAR3ALDH1A1MAPTL3MBTL1NPC1 | |
| SCHEMBL7145150 | 0.76 | ADRA2A (0.35) | HCAR3ALDH1A1MAPTL3MBTL1CREBBP | |
| SCHEMBL7141349 | 0.75 | HDAC1 (0.45) | HDAC3HDAC1HDAC2 | |
| SCHEMBL7289238 | 0.75 | TTR (0.41) | HCAR3ALDH1A1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL7144424 | 0.73 | CHRM3 (0.36) | ALDH1A1MAPT | |
| SCHEMBL5563454 | 0.73 | KMT2A (0.38) | HCAR3ALDH1A1MAPTL3MBTL1SMN1; SMN2 | |
| SCHEMBL7700560 | 0.72 | CREBBP (0.37) | HDAC3HDAC1HDAC2ALDH1A1NPC1 |
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 |