Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.37 |
| ▸ | CHRNB1 | P11230 | 2/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.36 |
| ▸ | CHRNA1 | P02708 | 3/20 | 0.36 |
| ▸ | CHRNG | P07510 | 1/20 | 0.36 |
| ▸ | CHRND | Q07001 | 1/20 | 0.36 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7102471 | 1.00 | IDO1 (0.39) | IDO1GCKTLR9TLR8TLR7 | |
| SCHEMBL7101916 | 0.90 | DRD2 (0.41) | IDO1GCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7102433 | 0.90 | DRD2 (0.41) | IDO1GCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7097543 | 0.86 | CHRNB2 (0.39) | IDO1GCKTLR9TLR8TLR7 | |
| SCHEMBL7487273 | 0.86 | CHRNB2 (0.39) | IDO1GCKTLR9TLR8TLR7 | |
| SCHEMBL7102531 | 0.86 | PROKR1 (0.41) | IDO1GCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7097805 | 0.86 | PROKR1 (0.41) | IDO1GCKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL7098836 | 0.81 | RIPK1 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1 | |
| SCHEMBL7102434 | 0.81 | CHRNA3 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1 | |
| SCHEMBL7102601 | 0.81 | CHRNA3 (0.59) | CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003500402-A | — | — | 2003-01-07 | — | — | JP | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | claimed |
| EP-1178982-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000071534-A1 | HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS | ABBOTT LABORATORIES (US) | 2000-11-30 | — | — | WO | disclosed |