Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 4/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | BUB1 | O43683 | 1/20 | 0.41 |
| ▸ | IDE | P14735 | 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 | |
|---|---|---|---|---|
| SCHEMBL4768822 | 0.81 | SMN1; SMN2 (0.60) | ADORA2APKMTSHRNPC1TP53 | |
| SCHEMBL4769061 | 0.79 | ADORA2A (0.43) | ADORA2APKMTSHRNPC1TP53 | |
| SCHEMBL4765953 | 0.79 | LMNA (0.52) | PKMTSHRNPC1TP53RAB9A | |
| SCHEMBL4774973 | 0.78 | ADRB2 (0.46) | ADORA2APKMTSHRNPC1TP53 | |
| SCHEMBL4773415 | 0.78 | ADORA2A (0.43) | ADORA2ACYP3A4ADORA1CYP2C9WNT3A | |
| SCHEMBL3453445 | 0.77 | SMN1; SMN2 (0.55) | PKMTSHRNPC1TP53RAB9A | |
| SCHEMBL4766014 | 0.77 | ADORA1 (0.47) | ADORA2APKMTSHRNPC1TP53 | |
| SCHEMBL4769062 | 0.76 | ADRB2 (0.46) | ADORA2ASMN1; SMN2CYP3A4ADORA1ADORA3 | |
| SCHEMBL5024997 | 0.76 | ADORA2A (0.53) | ADORA2ACYP3A4ADORA1CYP2C9WNT3A | |
| SCHEMBL4775234 | 0.76 | LMNA (0.49) | PKMTSHRNPC1TP53RAB9A |
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 |