Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 2/20 | 0.33 |
| ▸ | USP7 | Q93009 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | FLT4 | P35916 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.33 |
| ▸ | TEK | Q02763 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15845596 | 0.93 | EGFR (0.35) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL15845724 | 0.87 | EGFR (0.33) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL15846194 | 0.85 | NPC1 (0.30) | NPC1 | |
| SCHEMBL17403036 | 0.84 | EGFR (0.33) | EGFRIGF1RSRCFLT4KDR | |
| SCHEMBL15845725 | 0.83 | DDR1 (0.33) | EGFRIGF1RSRCFLT4KDR | |
| SCHEMBL15845841 | 0.81 | NPC1 (0.38) | NPC1EGFRIGF1RSRCFLT4 | |
| SCHEMBL15846670 | 0.81 | EGFR (0.36) | MAPK1EGFRIGF1RSRCFLT4 | |
| SCHEMBL15845716 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL18393405 | 0.80 | DDR1 (0.35) | EGFRIGF1RSRCFLT4KDR | |
| SCHEMBL15845897 | 0.79 | DGAT1 (0.33) | EGFRIGF1RSRCFLT4KDR |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9656971-B2 | COMT inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2017-05-23 | — | — | US | disclosed |
| EP-2938600-B1 | COMT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2017-01-25 | — | — | EP | disclosed |
| US-20160002177-A1 | COMT INHIBITORS | HOFFMANN-LA ROCHE INC. (US) | 2016-01-07 | — | — | US | disclosed |
| EP-2938600-A1 | COMT INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2015-11-04 | — | — | EP | disclosed |
| WO-2014102233-A1 | COMT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-07-03 | — | — | 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 (1 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-20160002177-A1 | COMT INHIBITORS | COMT, PNMT, SLC6A3 | MAPK1 635/4885NPC1 2621/4885EGFR 4189/4885 |
“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.