Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL17150171 | 0.85 | SLC6A2 (0.42) | SLC6A2SLC6A4SLC6A3L3MBTL1AOC3 | |
| SCHEMBL5552108 | 0.81 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3MAPTL3MBTL1 | |
| SCHEMBL12343957 | 0.80 | MAPT (0.39) | MAPTL3MBTL1NPSR1AOC3NOS3 | |
| SCHEMBL15382533 | 0.79 | UHRF1 (0.45) | SLC6A2SLC6A4SLC6A3MAPTL3MBTL1 | |
| SCHEMBL7117731 | 0.76 | NOS3 (0.48) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL20676684 | 0.76 | KDM4E (0.46) | SLC6A2SLC6A4SLC6A3MAPTGAA | |
| SCHEMBL18986020 | 0.76 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3MAPTL3MBTL1 | |
| SCHEMBL10496086 | 0.74 | NOS3 (0.47) | SLC6A2SLC6A4SLC6A3NOS3NOS1 | |
| SCHEMBL22339068 | 0.73 | SLC6A2 (0.40) | SLC6A2SLC6A4SLC6A3MAPTNPSR1 | |
| SCHEMBL17150208 | 0.73 | DPP4 (0.47) | GAACYP3A4TSHRKDM4E |
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-2017102091-A1 | HETEROARYLBENZIMIDAZOLE COMPOUNDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-06-22 | — | — | WO | disclosed |