Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CPT1A | P50416 | 2/20 | 0.45 |
| ▸ | CPT2 | P23786 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | PREP | P48147 | 1/20 | 0.44 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.44 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.44 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDE8B | O95263 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21163830 | 0.91 | CPT1A (0.55) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4954716 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4954721 | 0.89 | ALDH1A1 (0.48) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4954599 | 0.88 | DPP4 (0.53) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4954592 | 0.88 | DPP4 (0.53) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4956804 | 0.85 | DPP4 (0.55) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL4956797 | 0.85 | DPP4 (0.55) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL8272731 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL13805609 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 | |
| SCHEMBL14641475 | 0.82 | ALDH1A1 (0.50) | ALDH1A1TSHRMEN1KMT2AL3MBTL1 |
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 |