Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12003992 | 0.88 | CHKA (0.44) | CHKAKDM4EALDH1A1POLBTDP1 | |
| SCHEMBL12004116 | 0.82 | HDAC3 (0.35) | CHKAHRH3HDAC3HDAC4HDAC1 | |
| SCHEMBL1817522 | 0.82 | P2RX7 (0.38) | CHKAHRH3HDAC3HDAC4HDAC1 | |
| SCHEMBL12004215 | 0.80 | CHKA (0.47) | CHKAKDM4EALDH1A1POLBTDP1 | |
| SCHEMBL1818786 | 0.80 | CHKA (0.42) | CHKAALDH1A1 | |
| SCHEMBL1815835 | 0.79 | P2RX7 (0.37) | CHKAHRH3HDAC3HDAC4HDAC1 | |
| SCHEMBL12004150 | 0.78 | HRH3 (0.40) | CHKAHRH3HDAC3HDAC4HDAC1 | |
| SCHEMBL12003828 | 0.75 | CHKA (0.45) | CHKAHRH3KCNH2 | |
| SCHEMBL12003829 | 0.74 | CHKA (0.41) | CHKAKDM4EALDH1A1HRH3KCNH2 | |
| SCHEMBL12004383 | 0.73 | CHKA (0.42) | CHKAHRH3KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2496569-A2 | HETEROCYCLIC DERIVATIVES | MSD Oss B.V. (NL) | 2012-09-12 | — | — | EP | claimed |
| WO-2011051490-A2 | HETEROCYCLIC DERIVATIVES | N.V. ORGANON (NL) | 2011-05-05 | — | — | WO | claimed |
| 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 3304/4885KDM4E 2312/4885ALDH1A1 118/4885 |
“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.