Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | TGFBR1 | P36897 | 8/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14897541 | 0.90 | SGMS2 (0.46) | ATRTGFBR1TRPV1FYNALDH1A1 | |
| SCHEMBL14897194 | 0.90 | ATR (0.44) | ATRTGFBR1KMOFYNF2 | |
| SCHEMBL14897192 | 0.89 | TGFBR1 (0.46) | ATRTGFBR1KMO | |
| SCHEMBL14897072 | 0.88 | TGFBR1 (0.46) | ATRTGFBR1KMOFYNF2 | |
| SCHEMBL14896775 | 0.87 | CHRNB2 (0.45) | ATRTGFBR1KMO | |
| SCHEMBL14897041 | 0.86 | HTT (0.47) | ATRTYK2TGFBR1FYNALDH1A1 | |
| SCHEMBL14897560 | 0.86 | TGFBR1 (0.41) | ATRTGFBR1KMO | |
| SCHEMBL14897539 | 0.86 | TGFBR1 (0.42) | ATRTGFBR1KMOFYNALDH1A1 | |
| SCHEMBL14897200 | 0.86 | TSHR (0.43) | ATRTGFBR1KMO | |
| SCHEMBL14896955 | 0.86 | TGFBR1 (0.44) | ATRTGFBR1TRPV1KMO |
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 |
|---|---|---|---|---|---|---|---|
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2018-07-05 | — | — | US | disclosed |
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2018-07-05 | — | — | US | disclosed |
| US-9957271-B2 | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2018-05-01 | — | — | US | disclosed |
| US-9957271-B2 | Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2018-05-01 | — | — | US | disclosed |
| EP-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |
| US-20140349993-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| US-20140349993-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| WO-2013059587-A9 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2014-10-23 | — | — | WO | disclosed |
| WO-2013059587-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2013-04-25 | — | — | 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 (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-20140349993-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | ATR 1049/4885TYK2 1591/4885TGFBR1 4488/4885 |
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | ATR 1049/4885TYK2 1591/4885TGFBR1 4488/4885 |
“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.