Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | S100B | P04271 | 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 | |
|---|---|---|---|---|
| SCHEMBL11935601 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL13565962 | 0.89 | CA9 (0.42) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL11935602 | 0.89 | ALDH1A1 (0.39) | ALDH1A1KDM4EMEN1KMT2APOLB | |
| SCHEMBL13565967 | 0.88 | ALDH1A1 (0.38) | ALDH1A1MEN1KMT2AGFERPOLB | |
| SCHEMBL13564882 | 0.85 | CNR2 (0.44) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL11935357 | 0.85 | GRIA1 (0.41) | ESR1ALDH1A1KDM4EMAPTRXFP1 | |
| SCHEMBL10114448 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EMAPTRXFP1MEN1 | |
| SCHEMBL13565336 | 0.83 | POLB (0.39) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL13565192 | 0.82 | CNR2 (0.34) | ALDH1A1KDM4EMAPTMEN1KMT2A | |
| SCHEMBL13565553 | 0.82 | PTPRC (0.44) | ALDH1A1MAPTMEN1KMT2APOLB |
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 2 patents. 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 |
| US-8299265-B2 | Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof | SHIONOGI & CO., LTD. (JP) | 2012-10-30 | — | — | US | disclosed |