Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 9/20 | 0.61 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.61 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.47 |
| ▸ | GRM5 | P41594 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3367057 | 0.88 | HCRTR1 (0.65) | HCRTR1HCRTR2SCD5GRM5NPC1 | |
| SCHEMBL3366784 | 0.88 | HCRTR1 (0.65) | HCRTR1HCRTR2SCD5GRM5ROCK2 | |
| SCHEMBL3367000 | 0.86 | HCRTR1 (0.54) | HCRTR1HCRTR2GRM5TP53MAPT | |
| SCHEMBL3368112 | 0.85 | HCRTR1 (0.61) | HCRTR1HCRTR2SCD5GRM5 | |
| SCHEMBL3364799 | 0.83 | HCRTR1 (0.64) | HCRTR1HCRTR2SCD5GRM5NPC1 | |
| SCHEMBL3368411 | 0.83 | HCRTR1 (0.61) | HCRTR1HCRTR2SCD5GRM5NPC1 | |
| SCHEMBL3366762 | 0.83 | HCRTR1 (0.49) | HCRTR1HCRTR2 | |
| SCHEMBL3369692 | 0.83 | HCRTR1 (0.59) | HCRTR1HCRTR2GRM5NPC1RAB9A | |
| SCHEMBL3368150 | 0.83 | HCRTR1 (0.67) | HCRTR1HCRTR2SCD5GRM5MAPT | |
| SCHEMBL3366720 | 0.82 | HCRTR1 (0.65) | HCRTR1HCRTR2SCD5GRM5SMN1; SMN2 |
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 |