Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.48 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.48 |
| ▸ | RAD51 | Q06609 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29739547 | 1.00 | ALDH1A1 (0.53) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL29739356 | 0.97 | MAPT (0.53) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL14659243 | 0.97 | MAPT (0.53) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL29739388 | 0.96 | GAA (0.52) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL896355 | 0.96 | GAA (0.52) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL29739339 | 0.89 | RAB9A (0.60) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL896528 | 0.89 | RAB9A (0.60) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL29739477 | 0.89 | GAA (0.68) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL29739757 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGAAKMT2AKDM4E | |
| SCHEMBL2825785 | 0.86 | KDM4E (0.48) | ALDH1A1MAPTGAAKMT2AKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2736882-A1 | SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES | Grünenthal GmbH (DE) | 2014-06-04 | — | — | EP | disclosed |
| EP-2736900-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2014-06-04 | — | — | EP | disclosed |
| US-20130029961-A1 | Substituted Heterocyclic Aza Compounds | GRUENENTHAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| US-20130029962-A1 | Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands | GRUENENTHAL GMBH (DE) | 2013-01-31 | — | — | US | disclosed |
| WO-2013013815-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2013-01-31 | — | — | WO | disclosed |
| WO-2013013815-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS | Grünenthal GmbH (DE) | 2013-01-31 | — | — | WO | disclosed |
| WO-2013013817-A1 | SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES | Grünenthal GmbH (DE) | 2013-01-31 | — | — | WO | disclosed |
| WO-2013013817-A1 | SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES | Grünenthal GmbH (DE) | 2013-01-31 | — | — | WO | disclosed |
| US-20130029961-A1 | Substituted Heterocyclic Aza Compounds | GRUENENTHAL GMBH (DE) | 2013-01-31 | — | — | 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 (2 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-20130029961-A1 | Substituted Heterocyclic Aza Compounds | TRPV1, GPR17, TRPV2 | ALDH1A1 1529/4885MAPT 4630/4885GAA 2046/4885 |
| US-20130029962-A1 | Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands | TRPV1, GPR17, TRPV3 | ALDH1A1 3441/4885MAPT 1363/4885GAA 2687/4885 |
“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.