Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GNE | Q9Y223 | 1/20 | 0.35 |
| ▸ | L3MBTL3 | Q96JM7 | 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 | |
|---|---|---|---|---|
| SCHEMBL25958662 | 0.88 | SMN1; SMN2 (0.45) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL25958835 | 0.87 | SCN9A (0.38) | CNR1PTK2DPP4L3MBTL3L3MBTL1 | |
| SCHEMBL25958758 | 0.86 | ALOX5AP (0.38) | L3MBTL3L3MBTL1 | |
| SCHEMBL25958773 | 0.84 | SCN9A (0.36) | ALDH1A1CNR2HPGDKMT2A | |
| SCHEMBL25958862 | 0.81 | ALDH1A1 (0.43) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958792 | 0.77 | VNN1 (0.40) | DPP4NPC1RAB9AHPGDKMT2A | |
| SCHEMBL25958444 | 0.77 | CNR1 (0.43) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958904 | 0.76 | ALDH1A1 (0.37) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL25958891 | 0.76 | CNR2 (0.41) | ALDH1A1GAAMAPTTDP1CNR1 | |
| SCHEMBL20097402 | 0.76 | HPGD (0.48) | ALDH1A1GAAMAPTTDP1CNR1 |
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 |