Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2032467 | 0.78 | NUDT1 (0.49) | NUDT1TLR8HRH4HRH3HSD17B10 | |
| SCHEMBL18879260 | 0.77 | NUDT1 (0.47) | NUDT1TLR8HRH4HRH3CDK2 | |
| SCHEMBL179501 | 0.71 | NUDT1 (0.48) | NUDT1TLR8HRH4HRH3HSD17B10 | |
| SCHEMBL29162742 | 0.71 | AURKA (0.43) | NUDT1HSD17B10ROCK1POLBCDK2 | |
| SCHEMBL10739690 | 0.71 | NUDT1 (0.37) | NUDT1TLR8HRH4HRH3HSD17B10 | |
| SCHEMBL3646434 | 0.69 | NUDT1 (0.47) | NUDT1TLR8HRH4HRH3CDK2 | |
| SCHEMBL19618116 | 0.69 | TLR8 (0.45) | NUDT1TLR8HRH4HRH3 | |
| SCHEMBL31728177 | 0.68 | NUDT1 (0.46) | NUDT1TLR8HRH4HRH3CDK2 | |
| SCHEMBL13955699 | 0.68 | LOX (0.31) | — | |
| SCHEMBL30230348 | 0.67 | HSP90AA1 (0.45) | NUDT1HRH4HSD17B10NOS3NOS2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2516397-B1 | Amino-heteroaryl derivatives as HCN blockers | MERCK SHARP & DOHME (NL) | 2016-07-13 | — | — | EP | disclosed |
| US-8952001-B2 | Amino-heteroaryl derivatives as HCN blockers | MERCK SHARP & DOHME CORP. (US) | 2015-02-10 | — | — | US | disclosed |
| EP-2516397-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | MSD Oss B.V. (NL) | 2012-10-31 | — | — | EP | disclosed |
| US-20120264728-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | ORGANON BIOSCIENCES NEDERLAND B.V. (NL) | 2012-10-18 | — | — | US | disclosed |
| WO-2011076723-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | N.V. ORGANON (NL) | 2011-06-30 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120264728-A1 | AMINO-HETEROARYL DERIVATIVES AS HCN BLOCKERS | HCN1, HCN3, HCN2 | NUDT1 2048/4885TLR8 3166/4885HRH4 54/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.