Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851850 | 0.87 | ADK (0.36) | MAPK1GAAKDM4ENPSR1HPGD | |
| SCHEMBL8851569 | 0.84 | SMN1; SMN2 (0.51) | NPSR1HTTSMN1; SMN2PIK3CAMAPT | |
| SCHEMBL8851147 | 0.83 | HTT (0.47) | MAPK1KDM4ENPSR1HPGDALDH1A1 | |
| SCHEMBL7938993 | 0.80 | KDM4E (0.49) | MAPK1GAAKDM4EHPGDALDH1A1 | |
| SCHEMBL8851821 | 0.80 | PIK3CD (0.35) | MAPK1PIK3CAMTORKMT2A | |
| SCHEMBL8851858 | 0.78 | PTK2 (0.46) | MAPK1GAAKDM4EHPGDALDH1A1 | |
| SCHEMBL8851865 | 0.73 | MAPK1 (0.44) | MAPK1KDM4EALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL8850966 | 0.73 | ADK (0.43) | MAPK1GAAKDM4EHPGDALDH1A1 | |
| SCHEMBL10661605 | 0.72 | ALDH1A1 (0.44) | MAPK1KDM4ENPSR1HPGDALDH1A1 | |
| SCHEMBL10662972 | 0.72 | ADK (0.41) | MAPK1GAAKDM4EHPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |