Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 5/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ADK | P55263 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIK3C2B | O00750 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.36 |
| ▸ | CHIT1 | Q13231 | 1/20 | 0.35 |
| ▸ | CHIA | Q9BZP6 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851471 | 0.94 | PDE10A (0.39) | PDE10ACTSLHRH4CNR1CNR2 | |
| SCHEMBL8851676 | 0.92 | PDE10A (0.39) | PDE10APIK3CD | |
| SCHEMBL8851415 | 0.91 | TSHR (0.43) | PDE10ACNR1CNR2PIK3CDHTT | |
| SCHEMBL8852111 | 0.90 | PDE10A (0.44) | PDE10APIK3CDPIK3CA | |
| SCHEMBL8851075 | 0.87 | PDE10A (0.44) | PDE10APIK3CDTSHRPIK3CAPIK3CB | |
| SCHEMBL8851118 | 0.84 | PDE10A (0.47) | PDE10APKMHTTADKADORA2A | |
| SCHEMBL8851226 | 0.84 | TSHR (0.43) | PDE10ACNR1CNR2PIK3CDHTT | |
| SCHEMBL8851867 | 0.83 | TSHR (0.41) | PDE10ACNR1CNR2PIK3CDHTT | |
| SCHEMBL8852147 | 0.82 | TSHR (0.43) | PDE10AHTTADKTSHRPIK3CB | |
| SCHEMBL8851456 | 0.82 | PIK3CB (0.43) | PIK3CDTSHRPIK3CAPIK3CB |
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 | claimed |
| 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 |