Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 8/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4770635 | 0.86 | CYP1A2 (0.52) | ADORA1ADORA2AADORA3SMN1; SMN2TSHR | |
| SCHEMBL4766014 | 0.85 | ADORA1 (0.47) | ADORA1ADORA2AADORA3HTTCYP2A6 | |
| SCHEMBL4773065 | 0.82 | ADORA1 (0.43) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4773067 | 0.82 | CYP3A4 (0.50) | HTTCYP2A6NPC1TP53PKM | |
| SCHEMBL4769102 | 0.82 | KMT2A (0.55) | ADORA1ADORA2AADORA3NPC1RAB9A | |
| SCHEMBL4768684 | 0.82 | ADORA2A (0.43) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4765953 | 0.81 | LMNA (0.52) | HTTNPC1TP53PKMRAB9A | |
| SCHEMBL4775920 | 0.79 | ADORA1 (0.54) | ADORA1ADORA2AADORA3ADORA2BNPC1 | |
| SCHEMBL4768829 | 0.79 | KDM4E (0.44) | ADORA1ADORA2AADORA3CYP2A6ADORA2B | |
| SCHEMBL4769062 | 0.79 | ADRB2 (0.46) | ADORA1ADORA2AADORA3HTTCYP2A6 |
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 |