Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 18/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 17/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2128535 | 0.93 | HCRTR1 (0.39) | HCRTR1HCRTR2ALDH1A1RAB9ANPC1 | |
| SCHEMBL2126116 | 0.89 | HCRTR1 (0.40) | HCRTR1HCRTR2 | |
| SCHEMBL983575 | 0.88 | HCRTR1 (0.41) | HCRTR1HCRTR2 | |
| SCHEMBL2127897 | 0.88 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL982926 | 0.88 | HCRTR1 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL2126124 | 0.87 | HCRTR1 (0.41) | HCRTR1HCRTR2ALDH1A1RAB9AKDM4E | |
| SCHEMBL2127104 | 0.86 | HCRTR1 (0.39) | HCRTR1HCRTR2ALDH1A1 | |
| SCHEMBL2125626 | 0.84 | HCRTR1 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL2127711 | 0.83 | HCRTR1 (0.39) | HCRTR1HCRTR2 | |
| SCHEMBL2127749 | 0.83 | HCRTR1 (0.39) | HCRTR1HCRTR2ALDH1A1RAB9ANPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8236801-B2 | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | claimed |
| EP-2247586-B1 | 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-04-25 | — | — | EP | claimed |
| US-8236801-B2 | 2-aza-bicyclo[2.2.1]heptane derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-07 | — | — | US | disclosed |