Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | QPCT | Q16769 | 1/20 | 0.40 |
| ▸ | QPCTL | Q9NXS2 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2598740 | 0.80 | CYP17A1 (0.42) | ALDH1A1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL2598585 | 0.77 | CYP2A6 (0.45) | ALDH1A1KDM4EMAPTHPGDTDP1 | |
| SCHEMBL16494934 | 0.75 | DHFR (0.39) | ALDH1A1KDM4EMAPTTDP1CYP2D6 | |
| SCHEMBL2598555 | 0.74 | BACE1 (0.49) | ALDH1A1CYP2D6ATMDHFR | |
| SCHEMBL4230435 | 0.74 | REN (0.50) | ALDH1A1CYP2D6ATM | |
| SCHEMBL16494607 | 0.74 | ALDH1A1 (0.40) | ALDH1A1CYP2D6ATMDHFR | |
| SCHEMBL4218510 | 0.73 | CYP2D6 (0.43) | ALDH1A1MEN1KMT2ATDP1CYP2D6 | |
| SCHEMBL4218504 | 0.71 | HSP90AB1 (0.53) | ALDH1A1KDM4EMEN1HPGDKMT2A | |
| SCHEMBL264211 | 0.71 | ROCK2 (0.58) | ALDH1A1ROCK2KDM4EMEN1GAA | |
| SCHEMBL29728756 | 0.71 | ROCK2 (0.58) | ALDH1A1ROCK2KDM4EMEN1GAA |
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-2395001-A1 | Novel pyrimidine derivatives | Chemilia AB (SE) | 2011-12-14 | — | — | EP | disclosed |