Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851218 | 0.94 | MAPT (0.46) | ALDH1A1KDM4ENPSR1GAAPKM | |
| SCHEMBL9233932 | 0.90 | ALDH1A1 (0.40) | ALDH1A1KDM4ENPSR1GAAPKM | |
| SCHEMBL8851222 | 0.89 | POLB (0.46) | ALDH1A1KDM4EGAAPKMPDE10A | |
| SCHEMBL8851879 | 0.87 | THRB (0.44) | ALDH1A1KDM4EGAAPKMPDE10A | |
| SCHEMBL10659313 | 0.81 | ALDH1A1 (0.42) | ALDH1A1KDM4EPDE10AHSD17B10MAPK1 | |
| SCHEMBL8851118 | 0.81 | PDE10A (0.47) | ALDH1A1KDM4EPKMPDE10AADORA2A | |
| SCHEMBL8851202 | 0.80 | PDE10A (0.45) | ALDH1A1KDM4EPDE10AHSD17B10THRB | |
| SCHEMBL8851584 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4EGAAPKMPDE10A | |
| SCHEMBL10657923 | 0.80 | TP53 (0.44) | KDM4ENPSR1PDE4APDE4BPDE4C | |
| SCHEMBL8852125 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAPKMPDE10A |
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 |