Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.38 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | ALDH3A1 | P30838 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL31731496 | 0.80 | PGR (0.37) | VCAM1ALDH1A1MAPTRAB9APDE3B | |
| SCHEMBL252672 | 0.80 | PGR (0.37) | VCAM1ALDH1A1MAPTRAB9APDE3B | |
| SCHEMBL5340556 | 0.78 | IL4I1 (0.43) | ALDH1A1MAPTPDE3BPDE3APGR | |
| SCHEMBL29952529 | 0.77 | NR3C2 (0.44) | PDE3BPDE3APGRMMP12NR3C2 | |
| SCHEMBL5345549 | 0.77 | NR3C2 (0.43) | ALDH1A1MAPTPDE3BPDE3APGR | |
| SCHEMBL3276712 | 0.77 | NR3C2 (0.44) | PDE3BPDE3APGRMMP12NR3C2 | |
| SCHEMBL3598751 | 0.74 | RAB9A (0.45) | XDHALDH1A1MAPTRAB9APOLB | |
| SCHEMBL532299 | 0.73 | ALDH1A1 (0.39) | ALDH5A1ABATALDH1A1MAPTRAB9A | |
| SCHEMBL20265314 | 0.70 | ALDH1A1 (0.44) | ALDH1A1MAPTPDE3BPDE3APGR | |
| SCHEMBL4625398 | 0.69 | TXNRD1 (0.51) | XDHALDH5A1ABATVCAM1ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399443-B1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2007-12-12 | — | — | EP | disclosed |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. | 2007-06-14 | — | — | US | disclosed |
| US-7141564-B2 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2006-11-28 | — | — | US | disclosed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | disclosed |
| EP-1399443-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2003087098-A1 | NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2003-10-23 | — | — | 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-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | NRDC, NUCB2, NDC1 | XDH 342/4885ALDH5A1 1170/4885ABAT 203/4885 |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | NRDC, NUCB2, NISCH | XDH 430/4885ALDH5A1 1150/4885ABAT 196/4885 |
“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.