Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 12/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 12/20 | 0.46 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL21065150 | 1.00 | TSHR (0.49) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065054 | 0.89 | HCRTR1 (0.46) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065056 | 0.89 | HCRTR1 (0.46) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065113 | 0.89 | TSHR (0.50) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065114 | 0.89 | TSHR (0.50) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065142 | 0.84 | TSHR (0.44) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065140 | 0.84 | TSHR (0.44) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL16465541 | 0.81 | HCRTR1 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL21065171 | 0.81 | LMNA (0.47) | TSHRLMNAALDH1A1HCRTR1HCRTR2 | |
| SCHEMBL21065170 | 0.81 | LMNA (0.47) | TSHRLMNAALDH1A1HCRTR1HCRTR2 |
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-2906553-B1 | OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2019-06-26 | — | — | EP | disclosed |