Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10113602 | 0.81 | HDAC1 (0.57) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL13564771 | 0.81 | S1PR1 (0.51) | CHRM2HRH4HRH3LMNA | |
| SCHEMBL13565330 | 0.81 | SCN8A (0.48) | CA1CA2HDAC3HDAC4HDAC1 | |
| SCHEMBL11934728 | 0.81 | CHRM2 (0.66) | CA1CA2CA9CA12CA4 | |
| SCHEMBL17832854 | 0.81 | CHRM2 (0.57) | CA1CA2CA9CA12CA4 | |
| SCHEMBL13438605 | 0.80 | HRH4 (0.50) | CA1CA2HRH4HRH3MEN1 | |
| SCHEMBL2936645 | 0.77 | CA12 (0.55) | CA1CA2CA9CA12CA4 | |
| SCHEMBL13564784 | 0.76 | NPY5R (0.67) | CA1CA2CA12CA4HDAC3 | |
| SCHEMBL11525991 | 0.76 | HRH4 (0.66) | CA1CA2CA9CA12CA4 | |
| SCHEMBL7353249 | 0.76 | HRH4 (0.66) | CA1CA2CA9CA12CA4 |
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 |