Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | MGMT | P16455 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8851415 | 0.84 | TSHR (0.43) | ALDH1A1TSHRPIK3CDKDM4EGLA | |
| SCHEMBL8851226 | 0.84 | TSHR (0.43) | ALDH1A1TSHRPIK3CDKDM4EGLA | |
| SCHEMBL9229772 | 0.83 | PIK3CD (0.42) | ALDH1A1MAPK1PIK3CDKDM4EGLA | |
| SCHEMBL8851272 | 0.82 | PIK3CD (0.42) | ALDH1A1TSHRPIK3CDKDM4EGLA | |
| SCHEMBL9235896 | 0.82 | ADK (0.47) | TSHRPIK3CDHRH4 | |
| SCHEMBL8851697 | 0.81 | TSHR (0.41) | ALDH1A1TSHRPIK3CDKDM4EGLA | |
| SCHEMBL8852171 | 0.81 | PIK3CD (0.42) | ALDH1A1TSHRMAPK1HSD17B10PIK3CD | |
| SCHEMBL9232181 | 0.81 | ADK (0.48) | TSHRPIK3CD | |
| SCHEMBL8852164 | 0.80 | PIK3CD (0.42) | ALDH1A1TSHRMAPK1HSD17B10PIK3CD | |
| SCHEMBL8851255 | 0.80 | TSHR (0.44) | ALDH1A1TSHRPIK3CDKDM4EGLA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |