Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | GAK | O14976 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | 0.86 | ADK (0.36) | SMN1; SMN2MAPTHTTNPC1RAB9A | |
| SCHEMBL25488835 | 0.86 | MAOB (0.51) | SMN1; SMN2MAPTHTTMAOBNPC1 | |
| SCHEMBL8851920 | 0.84 | MAPK1 (0.37) | SMN1; SMN2MAPTHTTNPC1RAB9A | |
| SCHEMBL8851865 | 0.84 | MAPK1 (0.44) | SMN1; SMN2PDE10AGAKMAPTLRRK2 | |
| SCHEMBL8851225 | 0.84 | PDE10A (0.44) | PDE10AGAKMAPTHTTMAOB | |
| SCHEMBL8851409 | 0.82 | PDE10A (0.42) | PDE10AGAKMAPTHTTPIK3CA | |
| SCHEMBL8851147 | 0.82 | HTT (0.47) | SMN1; SMN2MAPTHTTRAB9APIK3CA | |
| SCHEMBL8852053 | 0.81 | EHMT2 (0.43) | PDE10AGAKMAPTHTTMTOR | |
| SCHEMBL9234590 | 0.81 | MAPT (0.43) | SMN1; SMN2PDE10AGAKMAPTHTT | |
| SCHEMBL9233809 | 0.81 | EHMT2 (0.44) | PDE10AMAPTHTTLMNANPSR1 |
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 |