Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 6/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | WDR5 | P61964 | 2/20 | 0.36 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.36 |
| ▸ | LCK | P06239 | 2/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | TEK | Q02763 | 2/20 | 0.35 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14897408 | 0.90 | CYP2D6 (0.38) | ATRCYP2D6DPP4KCNH2 | |
| SCHEMBL18654685 | 0.90 | CYP2D6 (0.38) | ATRCYP2D6DPP4KCNH2 | |
| SCHEMBL14897164 | 0.85 | MCHR1 (0.40) | ATRMCHR1HRH4HRH3AAK1 | |
| SCHEMBL14897383 | 0.85 | IRAK4 (0.49) | ATRMCHR1WDR5AAK1LCK | |
| SCHEMBL14897272 | 0.85 | MCHR1 (0.42) | MCHR1AAK1 | |
| SCHEMBL16193121 | 0.83 | MCHR1 (0.38) | MCHR1HRH4HRH3KCNH2AAK1 | |
| SCHEMBL14897567 | 0.83 | HRH4 (0.43) | MCHR1HRH4HRH3AAK1 | |
| SCHEMBL20356798 | 0.82 | AAK1 (0.39) | MCHR1HRH4HRH3AAK1 | |
| SCHEMBL14897434 | 0.82 | AAK1 (0.39) | MCHR1HRH4HRH3AAK1 | |
| SCHEMBL14896977 | 0.80 | AAK1 (0.40) | MCHR1HRH4HRH3AAK1 |
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 1049/4885MCHR1 3729/4885HRH4 3580/4885 |
| US-20180186801-A1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | ATR 1049/4885MCHR1 3729/4885HRH4 3580/4885 |
“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.