Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | KDM5A | P29375 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GPER1 | Q99527 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.32 |
| ▸ | ULK1 | O75385 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL5546928 | 0.91 | TDP1 (0.36) | TDP1GSK3BKDM5AJAK2PTGES | |
| SCHEMBL5548096 | 0.90 | TDP1 (0.46) | TDP1GSK3BKDM5AJAK2KDM4E | |
| SCHEMBL16009913 | 0.87 | PTGES (0.37) | TDP1KDM5AGRIN1GRIN2BPTGES | |
| SCHEMBL5545871 | 0.86 | TDP1 (0.37) | TDP1KDM5ATYK2PDE4DPTGES | |
| SCHEMBL5545745 | 0.84 | TDP1 (0.42) | TDP1GSK3BKDM5AGRIN1GRIN2B | |
| SCHEMBL5538581 | 0.79 | KDM5A (0.46) | KDM5APTGESKDM4EMEN1KMT2A | |
| SCHEMBL5546798 | 0.79 | GPR52 (0.38) | TDP1GSK3BKDM5AMEN1KMT2A | |
| SCHEMBL5538964 | 0.77 | HDAC3 (0.36) | TDP1GSK3BKDM5AKDM4EMEN1 | |
| SCHEMBL5546706 | 0.77 | KDM4E (0.53) | KDM4EKMT2A | |
| SCHEMBL5546963 | 0.77 | CNR2 (0.47) | TDP1GSK3BKDM5AKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150225399-A1 | HIV INTEGRASE INHIBITORS | VIIV HEALTHCARE CO (US) | 2015-08-13 | — | — | US | disclosed |
| US-20140256713-A1 | 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS | SHIONOGI & CO., LTD. (JP) | 2014-09-11 | — | — | US | disclosed |
| EP-1720856-B1 | HIV INTEGRASE INHIBITORS | GLAXOSMITHKLINE LLC (US) | 2013-08-14 | — | — | EP | disclosed |
| US-20070124152-A1 | Hiv Integrase Inhibitors | GLAXOSMITHKLINE LLC | 2007-05-31 | — | — | 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-20140256713-A1 | 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS | BCDIN3D, DUT, SAMHD1 | TDP1 801/4885GSK3B 2347/4885KDM5A 2056/4885 |
| US-20150225399-A1 | HIV INTEGRASE INHIBITORS | ING2, API5, SAMHD1 | TDP1 575/4885GSK3B 461/4885KDM5A 1439/4885 |
“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.