Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL733543 | 0.87 | KCNH2 (0.43) | DHFRKCNH2TP53GRM5SIGMAR1 | |
| SCHEMBL1913391 | 0.80 | GRM5 (0.50) | KCNH2TP53GRM5FFAR1FFAR4 | |
| SCHEMBL3219045 | 0.78 | DHFR (0.40) | DHFRKCNH2TP53GRM5FFAR1 | |
| SCHEMBL3573293 | 0.74 | APP (0.48) | KCNH2TP53GRM5ALDH1A1NPSR1 | |
| SCHEMBL3888886 | 0.74 | CALM1 (0.50) | KCNH2TP53FFAR1FFAR4ALDH1A1 | |
| SCHEMBL1913392 | 0.73 | KCNH2 (0.44) | DHFRKCNH2TP53GRM5FFAR1 | |
| SCHEMBL26180911 | 0.73 | KCNH2 (0.41) | DHFRKCNH2TP53GRM5FFAR1 | |
| SCHEMBL6319821 | 0.73 | KCNH2 (0.50) | DHFRKCNH2TP53FFAR1FFAR4 | |
| SCHEMBL185558 | 0.70 | TP53 (0.43) | DHFRKCNH2TP53FFAR1FFAR4 | |
| SCHEMBL3218912 | 0.70 | KCNH2 (0.51) | DHFRKCNH2TP53GRM5FFAR1 |
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-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | DHFR 243/4885KCNH2 4103/4885TP53 3011/4885 |
“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.