Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493080 | 0.87 | CYP3A4 (0.54) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL1161021 | 0.80 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL4242346 | 0.80 | CYP3A4 (0.47) | CYP3A4TRPA1GABRA1GABRB2GAA | |
| SCHEMBL3240712 | 0.79 | CYP3A4 (0.46) | CYP3A4TRPA1GABRA1GABRB2 | |
| SCHEMBL1133625 | 0.79 | CYP3A4 (0.46) | CYP3A4TRPA1GABRA1GABRB2TDP1 | |
| SCHEMBL8093597 | 0.76 | CYP3A4 (0.47) | CYP3A4TRPA1ALDH1A1TDP1GAA | |
| SCHEMBL27985693 | 0.76 | CYP3A4 (0.61) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL3460968 | 0.75 | CYP3A4 (0.66) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL28258602 | 0.75 | CYP3A4 (0.59) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 | |
| SCHEMBL93192 | 0.75 | CYP3A4 (0.79) | CYP3A4TRPA1GABRA1GABRB2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1678168-B1 | P70S6 KINASE MODULATORS AND METHOD OF USE | EXELIXIS INC (US) | 2012-07-11 | — | — | EP | disclosed |
| US-20110021525-A1 | P70S6 Kinase Modulators and Method of Use | EXELIXIS, INC. (US) | 2011-01-27 | — | — | US | disclosed |
| US-7816353-B2 | P70S6 kinase modulators and method of use | EXELIXIS, INC. (US) | 2010-10-19 | — | — | US | disclosed |
| US-20070208020-A1 | P70S6 Kinase Modulators And Method Of Use | EXELIXIS, INC. | 2007-09-06 | — | — | US | disclosed |
| US-4466966-A | N-aryl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ureas for intestinal disorders | MCNEILAB, INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4464300-A | PSYCHOTROPIC, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1984-08-07 | — | — | US | disclosed |
| US-4285948-A | ADMINISTERING CARDIOTONIC AGENTS | MCNEILAB, INC. (US) | 1981-08-25 | — | — | 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-20110021525-A1 | P70S6 Kinase Modulators and Method of Use | EEF2K, RPS6KA3, MTOR | CYP3A4 4833/4885TRPA1 4731/4885GABRA1 3754/4885 |
| US-20070208020-A1 | P70S6 Kinase Modulators And Method Of Use | EEF2K, RPS6KA3, MTOR | CYP3A4 4833/4885TRPA1 4731/4885GABRA1 3754/4885 |
“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.