Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 5/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17778371 | 0.97 | ALDH1A1 (0.45) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL20550603 | 0.97 | ALDH1A1 (0.47) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL17769468 | 0.95 | ALDH1A1 (0.43) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL17769507 | 0.95 | ALDH1A1 (0.43) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL17769661 | 0.88 | IRAK4 (0.39) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL17778466 | 0.88 | DPP4 (0.41) | ALDH1A1GRIN1GRIN2BCYP2C9CYP2C19 | |
| SCHEMBL17769444 | 0.88 | DPP4 (0.41) | ALDH1A1GRIN1GRIN2BCYP2C9CYP2C19 | |
| SCHEMBL17778498 | 0.86 | PHGDH (0.41) | ALDH1A1RPS6KB1CYP2C9CYP2C19KDM4E | |
| SCHEMBL19689787 | 0.86 | KDM1A (0.43) | ALDH1A1PAK1RPS6KB1GRIN1GRIN2B | |
| SCHEMBL17768083 | 0.83 | ALDH1A1 (0.43) | ALDH1A1RPS6KB1GRIN1GRIN2BKDM1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180319810-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2018-11-08 | — | — | 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-20180319810-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | SIRT1, SIRT3, SIRT2 | ALDH1A1 1067/4885PAK1 3632/4885RPS6KB1 973/4885 |
“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.