Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 12/20 | 0.49 |
| ▸ | CA2 | P00918 | 12/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565419 | 0.86 | MEN1 (0.46) | ALDH1A1TAAR1 | |
| SCHEMBL17090513 | 0.84 | NPY5R (0.48) | KDM4E | |
| SCHEMBL17090390 | 0.84 | KDM4E (0.55) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL11935139 | 0.84 | KDM4E (0.55) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL13203870 | 0.83 | ALDH1A1 (0.59) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL10113367 | 0.83 | ALDH1A1 (0.59) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL13438771 | 0.80 | KDM4E (0.57) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL11934895 | 0.80 | KDM4E (0.57) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL10115646 | 0.79 | ATM (0.51) | KDM4ECA1CA2ALDH1A1ATM | |
| SCHEMBL13564752 | 0.79 | ALDH1A1 (0.52) | KDM4ECA1CA2ALDH1A1CA12 |
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 |