Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL734904 | 0.87 | DHFR (0.41) | KCNH2GRM5DHFRSIGMAR1TSHR | |
| Ethylbenzene SCHEMBL28162281 | 0.72 | TP53 (0.64) | KCNH2SMN1; SMN2SIGMAR1TSHRDNM1 | |
| SCHEMBL1913391 | 0.69 | GRM5 (0.50) | KCNH2GRM5SMN1; SMN2TP53 | |
| SCHEMBL5314925 | 0.69 | KCNH2 (0.57) | KCNH2GRM5DHFRSMN1; SMN2SIGMAR1 | |
| SCHEMBL3219045 | 0.68 | DHFR (0.40) | KCNH2GRM5DHFRSIGMAR1TSHR | |
| Toluene SCHEMBL1752732 | 0.67 | TSHR (0.55) | SMN1; SMN2SIGMAR1TSHRTP53 | |
| SCHEMBL19547942 | 0.67 | TSHR (0.38) | SMN1; SMN2SIGMAR1HSD11B1TSHR | |
| Benzene SCHEMBL11774008 | 0.66 | TSHR (0.40) | KCNH2SMN1; SMN2TSHR | |
| SCHEMBL28437803 | 0.66 | KCNH2 (0.59) | KCNH2SMN1; SMN2DNM1TP53 | |
| SCHEMBL14881122 | 0.66 | — | — |
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 | KCNH2 4103/4885GRM5 2312/4885DHFR 243/4885 |
“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.