Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 16/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 14/20 | 0.70 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5321086 | 0.81 | ADORA1 (0.70) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 | |
| SCHEMBL27573259 | 0.79 | ADORA1 (0.67) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 | |
| SCHEMBL4904033 | 0.74 | ADORA1 (0.77) | ADORA1ADORA2AADORA2BKMT2AMEN1 | |
| SCHEMBL11175169 | 0.73 | ADORA1 (0.45) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 | |
| SCHEMBL13045873 | 0.72 | ADORA1 (0.57) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 | |
| SCHEMBL5321147 | 0.71 | ADORA1 (0.77) | ADORA1ADORA2AADORA2B | |
| SCHEMBL4899129 | 0.71 | ADORA1 (0.53) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 | |
| SCHEMBL6440910 | 0.71 | ADORA1 (1.00) | ADORA1ADORA2AADORA2B | |
| SCHEMBL18356737 | 0.70 | ADORA1 (0.71) | ADORA1ADORA2AKMT2AMEN1ALDH1A1 | |
| SCHEMBL8914694 | 0.69 | ADORA1 (0.54) | ADORA1ADORA2AADORA2BKMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007098835-A1 | AMINO PYRYMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-09-07 | — | — | WO | disclosed |
| WO-2007098835-A1 | AMINO PYRYMIDINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-09-07 | — | — | WO | disclosed |