Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.49 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3368153 | 0.82 | HCRTR1 (0.58) | TSHRHCRTR1HCRTR2ALDH1A1GAA | |
| SCHEMBL3366784 | 0.78 | HCRTR1 (0.65) | HCRTR1HCRTR2 | |
| SCHEMBL3368150 | 0.75 | HCRTR1 (0.67) | HCRTR1HCRTR2ALDH1A1MAPTKDM4E | |
| SCHEMBL3367915 | 0.74 | HCRTR1 (0.62) | TSHRHCRTR1HCRTR2ALDH1A1GAA | |
| SCHEMBL3368078 | 0.72 | HCRTR1 (0.61) | HCRTR1HCRTR2ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL3369692 | 0.72 | HCRTR1 (0.59) | TSHRHCRTR1HCRTR2ALDH1A1PKM | |
| SCHEMBL3366658 | 0.72 | HCRTR1 (0.59) | TSHRHCRTR1HCRTR2ALDH1A1GAA | |
| SCHEMBL3365296 | 0.72 | HCRTR1 (0.68) | HCRTR1HCRTR2MAPT | |
| SCHEMBL3366720 | 0.71 | HCRTR1 (0.65) | HCRTR1HCRTR2ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL3366754 | 0.71 | HCRTR1 (0.60) | TSHRHCRTR1HCRTR2ALDH1A1GAA |
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 |