Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 7/20 | 0.47 |
| ▸ | HCRTR2 | O43614 | 6/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TNKS | O95271 | 2/20 | 0.43 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3370373 | 0.85 | USP30 (0.51) | HCRTR1HCRTR2HPGDHTTRAB9A | |
| SCHEMBL3366782 | 0.83 | USP30 (0.52) | HCRTR1HCRTR2PKMHPGDRAB9A | |
| SCHEMBL3369471 | 0.83 | HCRTR1 (0.54) | HCRTR1HCRTR2PKMHPGDHTT | |
| SCHEMBL3367428 | 0.77 | HCRTR1 (0.55) | HCRTR1HCRTR2RAB9ANPC1 | |
| SCHEMBL3368239 | 0.77 | ALDH1A1 (0.56) | HCRTR1HCRTR2HPGDRAB9ATNKS | |
| SCHEMBL3367019 | 0.77 | HCRTR1 (0.53) | HCRTR1HCRTR2RAB9ANPC1 | |
| SCHEMBL3369395 | 0.77 | HCRTR1 (0.56) | HCRTR1HCRTR2RAB9ANPC1TP53 | |
| SCHEMBL6068831 | 0.76 | HCRTR1 (0.49) | HCRTR1HCRTR2HPGDRAB9ANPC1 | |
| SCHEMBL3366122 | 0.76 | PKM (0.45) | HCRTR1HCRTR2PKMHPGDHTT | |
| SCHEMBL3368893 | 0.76 | HCRTR1 (0.62) | HCRTR1HCRTR2TP53 |
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 |