Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.58 |
| ▸ | GRM5 | P41594 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | CTSA | P10619 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22061926 | 0.83 | P2RX7 (0.55) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL2237588 | 0.82 | P2RX7 (0.62) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL1958309 | 0.82 | P2RX7 (0.62) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL9937722 | 0.80 | P2RX7 (0.60) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL118409 | 0.80 | KDM4E (0.70) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL29590328 | 0.80 | P2RX7 (0.60) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL247491 | 0.80 | P2RX7 (0.60) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL5685849 | 0.78 | KDM4E (0.67) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL31474569 | 0.78 | KDM4E (0.67) | P2RX7GRM5KDM4EALOX15TSHR | |
| SCHEMBL512860 | 0.78 | GRM5 (0.59) | P2RX7GRM5KDM4EALOX15TSHR |
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-2654422-A1 | BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME | H. Lundbeck A/S (DK) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088365-A1 | BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME | H. LUNDBECK A/S (DK) | 2012-06-28 | — | — | WO | disclosed |