Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 7/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4773065 | 0.88 | ADORA1 (0.43) | ADORA1ADORA3ADORA2ACYP2A6ADORA2B | |
| SCHEMBL4765953 | 0.85 | LMNA (0.52) | MAPK1HTTALDH1A1LMNANPC1 | |
| SCHEMBL4771758 | 0.85 | ADORA1 (0.43) | ADORA1ADORA3ADORA2ACYP2A6HTT | |
| SCHEMBL4770635 | 0.83 | CYP1A2 (0.52) | ADORA1ADORA3ADORA2AMAPK1ALDH1A1 | |
| SCHEMBL4768829 | 0.83 | KDM4E (0.44) | ADORA1ADORA3ADORA2ACYP2A6ADORA2B | |
| SCHEMBL2240945 | 0.83 | GBA1 (0.54) | CYP2A6ALDH1A1NPC1TP53PKM | |
| SCHEMBL4769061 | 0.82 | ADORA2A (0.43) | ADORA1ADORA3ADORA2AHTTADORA2B | |
| SCHEMBL4768684 | 0.82 | ADORA2A (0.43) | ADORA1ADORA3ADORA2ACYP2A6ADORA2B | |
| SCHEMBL4775234 | 0.82 | LMNA (0.49) | MAPK1HTTALDH1A1LMNANPC1 | |
| SCHEMBL4769102 | 0.82 | KMT2A (0.55) | ADORA1ADORA3ADORA2AMAPK1ALDH1A1 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |