Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 2/20 | 0.70 |
| ▸ | HPGD | P15428 | 2/20 | 0.70 |
| ▸ | RAB9A | P51151 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.70 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.70 |
| ▸ | GAA | P10253 | 2/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | MPI | P34949 | 2/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.70 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.70 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL2563054 | 0.85 | KDM4E (0.69) | KDM4EALDH1A1NPC1TP53HPGD | |
| SCHEMBL10665354 | 0.69 | ADORA1 (0.60) | KDM4EALDH1A1NPC1TP53HPGD | |
| SCHEMBL30953833 | 0.66 | ADORA1 (0.97) | KDM4EALDH1A1NPC1TP53HPGD | |
| SCHEMBL1745165 | 0.66 | ADORA1 (0.97) | KDM4EALDH1A1NPC1TP53HPGD | |
| Iodide SCHEMBL4957487 | 0.65 | ADORA1 (1.00) | KDM4EALDH1A1NPC1TP53HPGD | |
| SCHEMBL10671055 | 0.65 | ADORA1 (0.54) | KDM4EALDH1A1NPC1TP53HPGD | |
| SCHEMBL3595500 | 0.64 | NPC1 (0.63) | ALDH1A1NPC1TP53HPGDRAB9A | |
| SCHEMBL31143329 | 0.63 | GRIN2D (0.51) | NPC1TP53RAB9AHSD17B10LMNA | |
| SCHEMBL17933911 | 0.63 | GRIN2D (0.51) | NPC1TP53RAB9AHSD17B10LMNA | |
| SCHEMBL12643279 | 0.63 | GRM7 (0.45) | KDM4EALDH1A1NPC1TP53HPGD |
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-2382219-A1 | HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2011-11-02 | — | — | EP | claimed |
| EP-2382219-A1 | HETEROTRICYCLIC COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | ADDEX Pharma S.A. (CH) | 2011-11-02 | — | — | EP | disclosed |