Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.61 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.47 |
| ▸ | XDH | P47989 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29817937 | 0.89 | ALDH1A1 (0.55) | ALDH1A1L3MBTL1HTR3EHTR3BHTR3A | |
| SCHEMBL13419452 | 0.81 | KDM4E (0.57) | ALDH1A1HTR3AXDHROCK2ROCK1 | |
| SCHEMBL29703766 | 0.80 | MAPT (0.63) | ALDH1A1L3MBTL1XDHROCK2ROCK1 | |
| SCHEMBL2997329 | 0.80 | ALDH1A1 (0.57) | ALDH1A1HTR3AROCK2ROCK1CDC42BPB | |
| SCHEMBL431886 | 0.80 | DRD4 (0.48) | ALDH1A1L3MBTL1XDHROCK2ROCK1 | |
| SCHEMBL24518337 | 0.80 | XDH (0.45) | ALDH1A1L3MBTL1XDHROCK2ROCK1 | |
| SCHEMBL24309700 | 0.80 | XDH (0.48) | ALDH1A1L3MBTL1XDHROCK2ROCK1 | |
| SCHEMBL5654064 | 0.80 | MAPT (0.63) | ALDH1A1L3MBTL1XDHROCK2ROCK1 | |
| SCHEMBL1484007 | 0.80 | POLB (0.61) | ALDH1A1HTR3AXDHROCK2ROCK1 | |
| SCHEMBL3578305 | 0.80 | MAPK1 (0.55) | ALDH1A1L3MBTL1XDHROCK2ROCK1 |
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 |