Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13564865 | 1.00 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CYP3A4TSHRKMT2A | |
| SCHEMBL13565117 | 0.89 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CNR2NPY5R | |
| SCHEMBL17090109 | 0.89 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CNR2NPY5R | |
| SCHEMBL11935263 | 0.88 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CYP3A4KMT2AMEN1 | |
| SCHEMBL17090312 | 0.88 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1KMT2ACNR2NPY5R | |
| SCHEMBL17090166 | 0.88 | NPY5R (0.41) | ALDH1A1ALDH3A1KMT2ACNR2NPY5R | |
| SCHEMBL17089945 | 0.88 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CNR2NPY5R | |
| SCHEMBL13438962 | 0.88 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CYP3A4KMT2AMEN1 | |
| SCHEMBL13213210 | 0.88 | ALDH1A1 (0.39) | ALDH1A1ALDH3A1CYP3A4CNR2NPY5R | |
| SCHEMBL13564851 | 0.88 | NPY5R (0.41) | ALDH1A1ALDH3A1KMT2ACNR2NPY5R |
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 |
|---|---|---|---|---|---|---|---|
| US-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |