Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLS | O94925 | 2/20 | 0.57 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.55 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.51 |
| ▸ | PPARD | Q03181 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | AR | P10275 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7289411 | 1.00 | GLS (0.57) | GLSGABRA1GABRB2MTNR1APPARD | |
| SCHEMBL7289417 | 1.00 | GLS (0.57) | GLSGABRA1GABRB2MTNR1APPARD | |
| SCHEMBL7286847 | 0.88 | GLS (0.46) | GLSGABRA1GABRB2MTNR1APPARD | |
| SCHEMBL7286852 | 0.88 | GLS (0.46) | GLSGABRA1GABRB2MTNR1APPARD | |
| SCHEMBL29443014 | 0.87 | GLS (0.56) | GLSGABRA1GABRB2MTNR1AHRH3 | |
| SCHEMBL4455342 | 0.87 | GLS (0.56) | GLSGABRA1GABRB2MTNR1AHRH3 | |
| SCHEMBL7296319 | 0.85 | PPARG (0.51) | GLSGABRA1GABRB2MTNR1AMEN1 | |
| SCHEMBL7296313 | 0.85 | PPARG (0.51) | GLSGABRA1GABRB2MTNR1AMEN1 | |
| SCHEMBL24193318 | 0.80 | TDP1 (0.46) | GLSKMT2APOLBCYP3A4CYP2C9 | |
| SCHEMBL14546592 | 0.79 | KDM4E (0.48) | GLSPPARDALDH1A1POLBLMNA |
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 |