Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 3/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.48 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8310997 | 0.79 | GRM5 (0.74) | KDM4EGRM5MKNK1MKNK2ALDH1A1 | |
| SCHEMBL29517855 | 0.72 | NPC1 (0.47) | NPC1RAB9ATP53SMN1; SMN2TDP1 | |
| SCHEMBL12590014 | 0.70 | NPC1 (0.48) | NPC1RAB9ATP53SMN1; SMN2TDP1 | |
| SCHEMBL11327666 | 0.69 | ERN1 (0.65) | NPC1RAB9ATDP1EGFRL3MBTL1 | |
| SCHEMBL27241742 | 0.69 | ALDH1A1 (0.52) | NPC1RAB9ATDP1L3MBTL1KDM4E | |
| SCHEMBL3145741 | 0.68 | CYP2A6 (0.51) | NPC1RAB9ATP53SMN1; SMN2TDP1 | |
| SCHEMBL4037525 | 0.68 | TSHR (0.61) | NPC1RAB9ATP53SMN1; SMN2TDP1 | |
| Bromide SCHEMBL11325605 | 0.68 | ERN1 (0.63) | NPC1RAB9ATDP1EGFRL3MBTL1 | |
| SCHEMBL13701560 | 0.68 | KDR (0.81) | NPC1RAB9ATP53SMN1; SMN2TDP1 | |
| SCHEMBL21296912 | 0.67 | CYP2A6 (0.62) | NPC1RAB9ATP53SMN1; SMN2EGFR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005021529-A1 | BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2005-03-10 | — | — | WO | disclosed |