Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 5/20 | 0.59 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.59 |
| ▸ | TNKS | O95271 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL3366754 | 0.91 | HCRTR1 (0.60) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3367915 | 0.91 | HCRTR1 (0.62) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3369692 | 0.86 | HCRTR1 (0.59) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3368150 | 0.84 | HCRTR1 (0.67) | HCRTR1HCRTR2ALDH1A1MAPTGRM5 | |
| SCHEMBL3367901 | 0.82 | HCRTR1 (0.59) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3370587 | 0.81 | HCRTR1 (0.57) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3365147 | 0.80 | HCRTR1 (0.49) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3370196 | 0.80 | HCRTR1 (0.56) | HCRTR1HCRTR2TNKSPARP1PARP2 | |
| SCHEMBL3366720 | 0.79 | HCRTR1 (0.65) | HCRTR1HCRTR2ALDH1A1GRM5NPC1 | |
| SCHEMBL3366784 | 0.79 | HCRTR1 (0.65) | HCRTR1HCRTR2GRM5SCD5 |
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 |