Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 10/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 7/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2444048 | 1.00 | HCRTR1 (0.41) | HCRTR1HCRTR2TRPV1NPC1UCHL1 | |
| SCHEMBL2929167 | 0.89 | KDM4E (0.41) | HCRTR1HCRTR2TRPV1NPC1KDM4E | |
| SCHEMBL2445623 | 0.87 | HCRTR1 (0.42) | HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL2445621 | 0.87 | HCRTR1 (0.42) | HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL2444050 | 0.86 | HCRTR1 (0.47) | HCRTR1HCRTR2TRPV1NPC1SLC2A1 | |
| SCHEMBL2446746 | 0.86 | HCRTR1 (0.40) | HCRTR1HCRTR2TRPV1NPC1KDM4E | |
| SCHEMBL2446743 | 0.86 | HCRTR1 (0.40) | HCRTR1HCRTR2TRPV1NPC1KDM4E | |
| SCHEMBL2447675 | 0.86 | HCRTR1 (0.48) | HCRTR1HCRTR2GAAALDH1A1TSHR | |
| SCHEMBL2447671 | 0.86 | HCRTR1 (0.48) | HCRTR1HCRTR2GAAALDH1A1TSHR | |
| SCHEMBL2448800 | 0.80 | HCRTR1 (0.46) | HCRTR1HCRTR2ALDH1A1TSHR |
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-2164847-B1 | 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-09-14 | — | — | EP | claimed |