Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 2/20 | 0.35 |
| ▸ | BRS3 | P32247 | 4/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | NMBR | P28336 | 1/20 | 0.34 |
| ▸ | GRPR | P30550 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CETP | P11597 | 1/20 | 0.34 |
| ▸ | EDNRB | P24530 | 1/20 | 0.32 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL25100807 | 0.93 | WNT3A (0.35) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100802 | 0.92 | BRS3 (0.35) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100510 | 0.91 | NPC1 (0.35) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100506 | 0.91 | BRS3 (0.33) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100801 | 0.91 | CCR6 (0.33) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100882 | 0.90 | L3MBTL1 (0.34) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100885 | 0.89 | FFAR1 (0.34) | PDK2FFAR1CA12CA1CA2 | |
| SCHEMBL25100936 | 0.89 | EDNRA (0.36) | PDK2FFAR1WNT3ABRS3EDNRA | |
| SCHEMBL25100902 | 0.89 | ABL1 (0.33) | FFAR1WNT3ABRS3PTGER1CYP19A1 | |
| SCHEMBL23956288 | 0.89 | PDK2 (0.44) | PDK2EDNRBEDNRAKAT6AMGLL |
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-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |