Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | BRD4 | O60885 | 3/20 | 0.47 |
| ▸ | NT5C2 | P49902 | 2/20 | 0.46 |
| ▸ | NT5E | P21589 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TOP2A | P11388 | 2/20 | 0.44 |
| ▸ | BRAF | P15056 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL9853716 | 0.82 | SMN1; SMN2 (0.39) | SMN1; SMN2BRD4NT5C2HSD17B10LMNA | |
| SCHEMBL11679062 | 0.76 | BRD4 (0.58) | SMN1; SMN2BRD4NT5C2NT5EHSD17B10 | |
| SCHEMBL30919395 | 0.76 | TSHR (0.67) | SMN1; SMN2BRD4HSD17B10TSHRTP53 | |
| SCHEMBL15709153 | 0.76 | TSHR (0.67) | SMN1; SMN2BRD4HSD17B10TSHRTP53 | |
| Glutathione SCHEMBL11158011 | 0.75 | PTGS1 (0.65) | SMN1; SMN2LMNAHDAC1HDAC2 | |
| Glutathione SCHEMBL11158003 | 0.75 | PTGS1 (0.65) | SMN1; SMN2LMNAHDAC1HDAC2 | |
| Glutathione SCHEMBL15210317 | 0.73 | PTGS1 (0.62) | SMN1; SMN2LMNA | |
| SCHEMBL4496035 | 0.71 | SMN1; SMN2 (0.70) | SMN1; SMN2BRD4NT5C2NT5EHSD17B10 | |
| SCHEMBL9177455 | 0.70 | HIF1A (0.57) | SMN1; SMN2TSHRTP53LMNACYP1A2 | |
| SCHEMBL22118772 | 0.68 | BRD4 (0.68) | SMN1; SMN2BRD4NT5C2NT5EHSD17B10 |
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-0426467-A1 | Prodrugs of 6-mercaptopurine and 6-thioguanine | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1991-05-08 | — | — | EP | disclosed |