Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4762615 | 0.91 | ALDH1A1 (0.45) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4761421 | 0.86 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4760669 | 0.83 | HTT (0.44) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL4532269 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4762728 | 0.81 | MAPT (0.39) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4896130 | 0.78 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4520363 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4520322 | 0.72 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL11345308 | 0.72 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDMEN1GAA | |
| SCHEMBL4760642 | 0.68 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDMEN1GAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458722-A1 | PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS | MERCK PATENT GmbH (DE) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003055882-A1 | PYRROLOPYRIMIDINES AS PHOSPHODIESTERASE VII INHIBITORS | MERCK PATENT GMBH (DE) | 2003-07-10 | — | — | WO | disclosed |