Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14922333 | 0.85 | DPP4 (0.41) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL13353937 | 0.84 | PTGS2 (0.43) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL8137240 | 0.83 | ALDH1A1 (0.46) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL13353923 | 0.82 | PTGS2 (0.47) | DPP4DPP9HTR1ADRD2HTR7 | |
| SCHEMBL26199270 | 0.79 | GRM5 (0.43) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL6969236 | 0.78 | RAD52 (0.57) | HTR1AMEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8152451 | 0.77 | HTR1A (0.42) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL13353924 | 0.77 | HTR1A (0.41) | GRM5DPP4DPP9HTR1ADRD2 | |
| SCHEMBL14922335 | 0.76 | L3MBTL1 (0.52) | GRM5DPP4DPP9MEN1KMT2A | |
| SCHEMBL3768133 | 0.76 | DPP4 (0.49) | GRM5DPP4DPP9HTR1ADRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |