Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.42 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13382891 | 0.82 | DRD2 (0.53) | ALDH1A1L3MBTL1POLBADRA2CKDM4E | |
| SCHEMBL16514423 | 0.81 | ALDH1A1 (0.62) | ALDH1A1L3MBTL1POLBADRA2CKDM4E | |
| SCHEMBL28296311 | 0.79 | PHGDH (0.40) | ALDH1A1L3MBTL1POLBMAPTPHGDH | |
| SCHEMBL4794953 | 0.77 | PDE7A (0.38) | ALDH1A1POLBKDM4EMAPTPHGDH | |
| SCHEMBL9657066 | 0.77 | RAD52 (0.44) | ALDH1A1POLBKDM4EMAPTRAD52 | |
| SCHEMBL8191985 | 0.76 | HTR1A (0.46) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL2894409 | 0.76 | ALDH1A1 (0.60) | ALDH1A1L3MBTL1POLBADRA2CKDM4E | |
| SCHEMBL8275465 | 0.76 | POLB (0.65) | ALDH1A1L3MBTL1POLBKDM4EMAPT | |
| SCHEMBL6924885 | 0.74 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1POLBKDM4EMAPT | |
| SCHEMBL19262490 | 0.74 | ALDH1A1 (0.64) | ALDH1A1L3MBTL1POLBADRA2CKDM4E |
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 |