Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5314335 | 0.86 | ALDH1A1 (0.42) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL6030031 | 0.76 | — | — | |
| SCHEMBL2798568 | 0.72 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL8356179 | 0.72 | CYP3A4 (0.36) | ALDH1A1HSD17B10KDM4E | |
| SCHEMBL657837 | 0.72 | MAPT (0.36) | ALDH1A1TDP1KDM4E | |
| SCHEMBL27855319 | 0.69 | ALDH1A1 (0.52) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL3948699 | 0.68 | ALDH1A1 (0.34) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL16768950 | 0.67 | ALDH1A1 (0.44) | ALDH1A1HSD17B10TDP1PTGS2KDM4E | |
| SCHEMBL224635 | 0.66 | ALOX5 (0.41) | — | |
| SCHEMBL1749249 | 0.64 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TDP1PTGS2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1799676-A2 | NEW BICYCLIC ANTIBIOTICS | Actelion Pharmaceuticals Ltd. (CH) | 2007-06-27 | — | — | 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 |
| WO-2006032466-A2 | NEW BICYCLIC ANTIBIOTICS | ACTELION PHARMACEUTICALS LTD (CH) | 2006-03-30 | — | — | WO | disclosed |
| EP-1569653-A1 | BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K | Warner-Lambert Company LLC (US) | 2005-09-07 | — | — | EP | disclosed |
| US-20040171620-A1 | Nitrogen-containing bicyclic heterocycles for use as antibacterials | SMITHKLINE BEECHAM P.L.C. (GB) | 2004-09-02 | — | — | US | disclosed |
| WO-2004052373-A1 | BENZOXAZIN-3-ONES AND DERIVATIVES THEREOF AS INHIBITORS OF PI3K | WARNER-LAMBERT COMPANY LLC (US) | 2004-06-24 | — | — | WO | 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 | ALDH1A1 3787/4885HSD17B10 1790/4885TDP1 3334/4885 |
| US-20070135422-A1 | Nitrogen-containing bicycle heterocycles for use as antibacterials | NRDC, NUCB2, NISCH | ALDH1A1 3931/4885HSD17B10 1715/4885TDP1 2964/4885 |
“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.