Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | HCRTR1 | O43613 | 3/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.47 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3367394 | 0.90 | NPSR1 (0.49) | MAPTHCRTR1HCRTR2TP53POLB | |
| SCHEMBL3370573 | 0.86 | MAPT (0.55) | MAPTHCRTR1HCRTR2USP30TP53 | |
| SCHEMBL3367330 | 0.85 | SMN1; SMN2 (0.49) | MAPTTP53CA1CA2SMN1; SMN2 | |
| SCHEMBL6068971 | 0.82 | HTT (0.51) | MAPTHCRTR1HCRTR2USP30TP53 | |
| SCHEMBL6178979 | 0.80 | PSEN1 (0.57) | POLBGAAALDH1A1NPSR1 | |
| SCHEMBL3367393 | 0.76 | MAPT (0.51) | MAPTHCRTR1HCRTR2TP53POLB | |
| SCHEMBL6179184 | 0.74 | TRPA1 (0.57) | MAPTPOLBGAAKDM4EHPGD | |
| SCHEMBL6180591 | 0.73 | TRPA1 (0.48) | MAPTHCRTR1HCRTR2TP53POLB | |
| SCHEMBL6178012 | 0.73 | CYP3A4 (0.62) | MAPTTP53POLBSMN1; SMN2KDM4E | |
| SCHEMBL3366695 | 0.73 | GAA (0.48) | MAPTHCRTR1HCRTR2TP53GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532141-B1 | 2-PYRROLIDIN-2-YL- [1,3,4]-OXADIAZOLE DERIVATIVES AND THE USE OF THE SAME AS ANTIDEPRESSANTS | GRUENENTHAL GMBH (DE) | 2010-10-13 | — | — | EP | disclosed |