Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 12/20 | 0.60 |
| ▸ | FABP6 | P51161 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL5648955 | 1.00 | CYP19A1 (0.60) | CYP19A1FABP6ACHEMAOBNOTUM | |
| SCHEMBL1484854 | 0.84 | FABP6 (0.51) | CYP19A1FABP6ACHEMAOBNOTUM | |
| SCHEMBL13039642 | 0.83 | CYP19A1 (0.63) | CYP19A1FABP6ACHEMAOBNOTUM | |
| SCHEMBL16111322 | 0.81 | CYP19A1 (0.61) | CYP19A1MAOB | |
| SCHEMBL9870752 | 0.80 | CYP19A1 (0.60) | CYP19A1FABP6ACHEMAOBKDM4E | |
| SCHEMBL68889 | 0.80 | CYP19A1 (0.60) | CYP19A1ACHEMAOBKDM4E | |
| SCHEMBL16111323 | 0.80 | CYP19A1 (0.42) | CYP19A1MAOB | |
| SCHEMBL8278097 | 0.76 | MAOB (0.45) | CYP19A1MAOBALDH1A1L3MBTL1 | |
| SCHEMBL10959785 | 0.76 | CYP19A1 (0.40) | CYP19A1MAOB | |
| SCHEMBL7277949 | 0.76 | CYP19A1 (0.63) | CYP19A1ACHEKDM4EALDH1A1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3541812-A1 | MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS | Takeda Pharmaceutical Company Limited (JP) | 2019-09-25 | — | — | EP | disclosed |
| WO-2018092921-A1 | MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-05-24 | — | — | WO | disclosed |