Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 9/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2189782 | 0.98 | MEN1 (0.39) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL29564492 | 0.89 | KCNH2 (0.43) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL29564344 | 0.84 | SCN9A (0.53) | ALDH1A1MEN1KMT2AKCNH2SCN5A | |
| SCHEMBL29564004 | 0.79 | LMNA (0.57) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL2442117 | 0.79 | MAOB (0.59) | ALDH1A1LMNAMEN1KMT2AKCNH2 | |
| SCHEMBL9242002 | 0.78 | LMNA (0.39) | LMNAGRM5TDP1 | |
| SCHEMBL7261048 | 0.76 | SCN9A (0.67) | ALDH1A1KDM4EMEN1KMT2AKCNH2 | |
| SCHEMBL2182610 | 0.76 | GRM5 (0.43) | GRM5CYP3A4 | |
| SCHEMBL6931798 | 0.76 | LMNA (0.63) | ALDH1A1LMNAGRM5TDP1 | |
| SCHEMBL178154 | 0.76 | ALDH1A1 (0.64) | ALDH1A1KDM4EMEN1KMT2AMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-8569308-B2 | Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same | VANDERBILT UNIVERSITY (US) | 2013-10-29 | — | — | US | disclosed |
| US-8569308-B2 | Substituted heteroarylamine carboxamide analogs as mGluR5 negative allosteric modulators and methods of making and using the same | VANDERBILT UNIVERSITY (US) | 2013-10-29 | — | — | US | disclosed |
| US-20110172247-A1 | SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY | 2011-07-14 | — | — | US | disclosed |
| US-20110172247-A1 | SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY | 2011-07-14 | — | — | US | disclosed |
| WO-2011035174-A1 | SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | VANDERBILT UNIVERSITY (US) | 2011-03-24 | — | — | 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-20110172247-A1 | SUBSTITUTED HETEROARYLAMINE CARBOXAMIDE ANALOGS AS MGLUR5 NEGATIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING THE SAME | GRM5, GRIK5, GRM2 | ALDH1A1 4696/4885LMNA 4629/4885KDM4E 768/4885 |
“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.