Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 13/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.37 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.37 |
| ▸ | ADH5 | P11766 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7535601 | 0.86 | CYP1A2 (0.46) | ADORA1ADORA2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7462501 | 0.79 | ADORA1 (0.60) | ADORA1ADORA2ACYP3A4CYP2D6KMT2A | |
| SCHEMBL7463419 | 0.77 | ADORA1 (0.59) | ADORA1ADORA2ACDK5CDK5R1 | |
| SCHEMBL994454 | 0.71 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19KMT2A | |
| SCHEMBL5449788 | 0.71 | ADORA1 (0.87) | ADORA1ADORA2AKMT2ARPS6KA3CDK5 | |
| SCHEMBL7222483 | 0.69 | ADORA1 (0.75) | ADORA1ADORA2AKMT2ARPS6KA3CDK5 | |
| SCHEMBL7210550 | 0.69 | ADORA1 (0.75) | ADORA1ADORA2AKMT2ARPS6KA3CDK5 | |
| SCHEMBL27560021 | 0.69 | KDM4E (0.43) | LMNAADH5 | |
| SCHEMBL7471062 | 0.68 | ABL1 (0.51) | ADORA1ADORA2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5456463 | 0.67 | ADORA1 (0.74) | ADORA1ADORA2AKMT2AMEN1LMNA |
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-0233461-B2 | 4,5,6-Substituted-2-pyrimidinamines | AMERICAN CYANAMID CO (US) | 2002-05-29 | — | — | EP | disclosed |