Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11208873 | 0.82 | HTR5A (0.41) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 | |
| SCHEMBL28871519 | 0.77 | CES2 (0.45) | ALDH1A1KDM4EIDO1HTR5A | |
| SCHEMBL11197568 | 0.73 | PARP1 (0.49) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 | |
| SCHEMBL8233677 | 0.72 | PARP1 (0.38) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 | |
| SCHEMBL19960632 | 0.71 | EGFR (0.43) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL28760406 | 0.70 | CA2 (0.37) | EGFRALDH1A1KDM4EIDO1TSHR | |
| SCHEMBL19960649 | 0.70 | EGFR (0.39) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL10957521 | 0.69 | ALDH1A1 (0.41) | EGFRALDH1A1KDM4EMAPTL3MBTL1 | |
| SCHEMBL28871496 | 0.69 | PARP1 (0.38) | ALDH1A1KDM4EMAPTL3MBTL1IDO1 | |
| SCHEMBL14001858 | 0.68 | PBRM1 (0.47) | ALDH1A1KDM4EMAPTL3MBTL1PARP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |