Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | GLA | P06280 | 5/20 | 0.48 |
| ▸ | GAA | P10253 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL6209010 | 1.00 | KDM4E (0.48) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL5459711 | 0.79 | TOP2A (0.37) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL2457805 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL2457803 | 0.77 | KDM4E (0.47) | KDM4EALDH1A1NPC1RAB9AGLA | |
| SCHEMBL28582151 | 0.77 | KMT2A (0.36) | ALDH1A1SMN1; SMN2MAPTNFKB1CYP1A2 | |
| SCHEMBL11597308 | 0.76 | GRM4 (0.42) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11597305 | 0.76 | GRM4 (0.42) | KDM4EALDH1A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23367993 | 0.75 | KMT2A (0.35) | ALDH1A1MAPTNFKB1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28475833 | 0.75 | TLR8 (0.36) | ALDH1A1SMN1; SMN2MAPTNFKB1CYP1A2 | |
| Bromide SCHEMBL28409162 | 0.75 | KMT2A (0.35) | ALDH1A1MAPTNFKB1CYP1A2CYP3A4 |
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-1349839-B1 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2005-02-09 | — | — | EP | claimed |