Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 9/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | ADK | P55263 | 2/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851202 | 0.93 | PDE10A (0.45) | PDE10AHTTHDAC1POLBKDM4E | |
| SCHEMBL8851222 | 0.92 | POLB (0.46) | PDE10APKMADKHDAC1POLB | |
| SCHEMBL8851150 | 0.90 | PDE10A (0.48) | PDE10AHTTHDAC1KDM4EALDH1A1 | |
| SCHEMBL8851433 | 0.87 | PDE10A (0.48) | PDE10AHDAC1POLBKDM4EALDH1A1 | |
| SCHEMBL8851188 | 0.84 | PDE10A (0.43) | PDE10APKMHTTADKADORA2A | |
| SCHEMBL8851390 | 0.81 | PIK3CB (0.48) | KDM4EALDH1A1KMT2A | |
| SCHEMBL8851149 | 0.81 | ALDH1A1 (0.46) | PDE10APKMADORA2AKDM4EALDH1A1 | |
| SCHEMBL8851300 | 0.81 | POLB (0.53) | PKMHTTPOLBKDM4EALDH1A1 | |
| SCHEMBL8852125 | 0.80 | ALDH1A1 (0.47) | PDE10APKMADKADORA2APOLB | |
| SCHEMBL8851218 | 0.80 | MAPT (0.46) | PDE10APKMHTTADKKDM4E |
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 |