Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8468606 | 0.82 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL8322376 | 0.78 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2GAAGRM1 | |
| Water SCHEMBL8466755 | 0.74 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL8324852 | 0.73 | GAA (0.53) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL8328108 | 0.72 | MAPT (0.40) | RAB9AADORA3ADORA2AESR2SYK | |
| SCHEMBL10049725 | 0.71 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL8321754 | 0.69 | KDM4E (0.41) | SMN1; SMN2GAACA9LMNAADORA3 | |
| SCHEMBL12253498 | 0.68 | GAA (0.67) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL25253396 | 0.68 | GAA (0.57) | NPC1RAB9ASMN1; SMN2GAACA9 | |
| SCHEMBL29405629 | 0.68 | GAA (0.57) | NPC1RAB9ASMN1; SMN2GAACA9 |
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-0888347-A1 | PHARMACEUTICALLY USEFUL COMPOUNDS | Astra Pharmaceuticals Limited (GB) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034893-A1 | PHARMACEUTICALLY USEFUL COMPOUNDS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-09-25 | — | — | WO | disclosed |