Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 8/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL25958891 | 0.85 | CNR2 (0.41) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958904 | 0.82 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958653 | 0.81 | ALDH1A1 (0.42) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958326 | 0.80 | NNMT (0.42) | ALDH1A1GAAKDM4ETSHR | |
| SCHEMBL25958927 | 0.79 | IGF1R (0.34) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958966 | 0.78 | CCNE1 (0.38) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958935 | 0.78 | KDM4E (0.50) | ALDH1A1MAPTTDP1HPGDMEN1 | |
| SCHEMBL25960881 | 0.77 | PCSK9 (0.34) | TDP1CNR2LRRK2HRH3 | |
| SCHEMBL25959087 | 0.77 | SMN1; SMN2 (0.38) | HPGDKMT2ATSHRLRRK2RAB9A | |
| SCHEMBL25958327 | 0.76 | MAPK1 (0.41) | ALDH1A1MAPTTDP1HPGDNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3870582-B1 | 5-AZAINDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2023-07-19 | — | — | EP | disclosed |