Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | KLK7 | P49862 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | JAK1 | P23458 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL1819798 | 0.88 | CHKA (0.46) | CHKAALDH1A1KDM4EPOLBTDP1 | |
| SCHEMBL12003829 | 0.86 | CHKA (0.41) | CHKAALDH1A1KDM4EHRH3KCNH2 | |
| SCHEMBL1816032 | 0.83 | KCNH2 (0.34) | CHKAHRH3KCNH2HTR1A | |
| SCHEMBL12004215 | 0.78 | CHKA (0.47) | CHKAALDH1A1KDM4EPOLBTDP1 | |
| SCHEMBL6878233 | 0.77 | PRF1 (0.31) | — | |
| SCHEMBL12004008 | 0.73 | PRF1 (0.34) | CHKAHRH3KCNH2HTR1A | |
| SCHEMBL12003828 | 0.73 | CHKA (0.45) | CHKAHRH3KCNH2 | |
| SCHEMBL1817850 | 0.72 | PRF1 (0.34) | HRH3KCNH2HTR1A | |
| SCHEMBL12004116 | 0.71 | HDAC3 (0.35) | CHKAHRH3KCNH2JAK2JAK1 | |
| SCHEMBL1819125 | 0.71 | WDR5 (0.34) | ALDH1A1HRH3KCNH2MAPK1 |
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-8507521-B2 | Heterocyclic derivatives | Merck Sharp + Dohme B.V. (NL) | 2013-08-13 | — | — | US | disclosed |
| US-20120220622-A1 | HETEROCYCLIC DERIVATIVES | MERCK SHARP & DOHME B.V. (NL) | 2012-08-30 | — | — | US | 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-20120220622-A1 | HETEROCYCLIC DERIVATIVES | GRIN2C, GRIN3A, GRIN2D | CHKA 3304/4885ALDH1A1 118/4885KDM4E 2312/4885 |
“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.