Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29629327 | 0.87 | NQO1 (0.68) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL3825385 | 0.87 | NQO1 (0.68) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL23583 | 0.83 | TP53 (0.57) | NQO1CYP1A2TSHRTDP1KMT2A | |
| SCHEMBL23298 | 0.82 | NQO1 (0.70) | NQO1CA12CA1CA7CA9 | |
| SCHEMBL23458226 | 0.82 | NQO1 (0.62) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL29779700 | 0.82 | NQO1 (0.62) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL3821099 | 0.82 | NQO1 (0.62) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL18417197 | 0.78 | NQO1 (0.56) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL2662879 | 0.78 | CYP11B1 (0.65) | NQO1AKR1C3AKR1C2CA12CA1 | |
| SCHEMBL111274 | 0.78 | AGXT (0.63) | NQO1CA12CA1CYP1A2CA4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7449484-B2 | Compounds | SMITHKLINE BEECHAM CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| EP-1343779-B1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2007-06-27 | — | — | EP | disclosed |
| US-20060166988-A1 | Novel compounds | SMITHKLINE BEECHAM CORPORATION | 2006-07-27 | — | — | US | disclosed |
| US-20040053943-A1 | Novel compounds | SMITHKLINE BEECHAM CORPORATION | 2004-03-18 | — | — | US | disclosed |
| EP-1343779-A4 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORP (US) | 2004-01-28 | — | — | EP | disclosed |
| EP-1343779-A2 | NOVEL COMPOUNDS | SmithKline Beecham Corporation (US) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002039954-A2 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2002-05-23 | — | — | 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-20040053943-A1 | Novel compounds | TIE1, TEK, VEGFA | NQO1 1746/4885AKR1C3 1036/4885AKR1C2 886/4885 |
| US-20060166988-A1 | Novel compounds | TIE1, TEK, VEGFA | NQO1 1746/4885AKR1C3 1036/4885AKR1C2 886/4885 |
“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.