Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 6/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 5/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | HSPE1 | P61604 | 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 | |
|---|---|---|---|---|
| SCHEMBL13566017 | 1.00 | ALDH1A1 (0.41) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL17090116 | 0.85 | ALDH1A1 (0.45) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL10114794 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL13439148 | 0.79 | ACHE (0.44) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL11935403 | 0.79 | ACHE (0.44) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL13462997 | 0.79 | ACHE (0.44) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL10115962 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL17090381 | 0.74 | ALDH1A1 (0.41) | ALDH1A1MEN1KMT2ANPC1HPGD | |
| SCHEMBL13565122 | 0.73 | MEN1 (0.43) | ALDH1A1KDM4EACHEMEN1KMT2A | |
| SCHEMBL13565810 | 0.73 | MEN1 (0.43) | ALDH1A1KDM4EACHEMEN1KMT2A |
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 |