Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPRB | P23467 | 2/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 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 | |
|---|---|---|---|---|
| SCHEMBL17089970 | 0.88 | NR1H4 (0.47) | ALDH1A1HSD17B10PKM | |
| SCHEMBL10113485 | 0.86 | EPHX2 (0.47) | EPHX2ALDH1A1MAPTPTPRC | |
| SCHEMBL11935068 | 0.84 | GRIA1 (0.44) | PTPRBEPHX2CA12CA7CA9 | |
| SCHEMBL11934794 | 0.83 | HPGD (0.46) | CA12CA9CA2KDM4ECA1 | |
| SCHEMBL13438596 | 0.83 | HPGD (0.46) | CA12CA9CA2KDM4ECA1 | |
| SCHEMBL13565863 | 0.81 | EPHX1 (0.43) | CA9CA2ALDH1A1MAPTCA1 | |
| SCHEMBL13564843 | 0.81 | HPGD (0.47) | CA12CA9CA2KDM4ECA1 | |
| SCHEMBL11934940 | 0.80 | EPHX2 (0.46) | PTPRBEPHX2CA2ALDH1A1KDM4E | |
| SCHEMBL13565491 | 0.80 | MEN1 (0.36) | CA2ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL31522321 | 0.79 | CA12 (0.53) | EPHX2CA12CA7CA9CA14 |
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 |