Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7288347 | 0.82 | HRH3 (0.49) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL7288429 | 0.82 | HRH3 (0.49) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL5505186 | 0.78 | HRH3 (0.55) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL7288352 | 0.77 | HRH3 (0.51) | HRH3GABRA1GABRB2GPR84ALDH1A1 | |
| SCHEMBL7288434 | 0.77 | HRH3 (0.51) | HRH3GABRA1GABRB2GPR84ALDH1A1 | |
| SCHEMBL9628115 | 0.73 | HRH3 (0.57) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL9117533 | 0.72 | HRH3 (0.63) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL2953776 | 0.72 | KMT2A (0.47) | ALDH1A1CA2GAATDP1KMT2A | |
| SCHEMBL10256487 | 0.71 | HRH3 (0.59) | HRH3ABCB1ARABCG2GABRA1 | |
| SCHEMBL13802286 | 0.71 | FFAR1 (0.56) | HRH3GABRA1GABRB2MTNR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6359138-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-03-19 | — | — | US | disclosed |
| EP-0846683-B1 | 4-Hydroxy-piperidine derivatives | HOFFMANN LA ROCHE (CH) | 2001-09-19 | — | — | EP | disclosed |
| EP-0846683-A1 | 4-Hydroxy-piperidine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1998-06-10 | — | — | EP | disclosed |